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ŀH ; ńH4G]94G~0G]90Gfh@GhGh\HhXH,G@`HRXHRPHP(G@`HRXHRPHP_G(GGGGGG=G ~G=G ~GGa aaa@a8GtL9H}D:t?HHPK}'HH9G=H}IHH?}WHHHHHH6F5HHH}?}H9=HN5HH95H HHHHH HHH98EHHH HHH9 H~HH HHH98EHHH HHH9 H~ȡHH HH H}H95HHH}H}9=H1e[^_]Ð(' UNIT CELL LENGTH =',F14.7, ' TIMES BOND LENGTH')DEPVARUWVSu }]He9(t_(HejhhNhz EhEPhdHhLe؃ jhHhDeܟ W @D HU1e[^_]Ð@?333333?UWVS}]]]]uHzHG@FFH H$HMbP?H~~^]H9HpN^CH9GH]쐋HHNj]$]# H]HH9 H~H]9H~؃~ ~NH9 HzHC]N] ]]H]9H=H]쐋HHNj]$ɋ]HH]9H~H9 H~؃~ ~H]vF5H9l5HF] 5H9DH]HHNj]$ߋ] H]HH9 H~H]9H~ HIH9 HKN萋H]%Ht]H9 H~1e[^_]Ð(5F12.6)(' * * * GRADIENT COMPONENT NUMBER',I4)(' NON-RELAXED C.I-ACTIVE FOCK EIGENVALUES ', 'DERIVATIVES (E.V.)')(8F10.4)(' NON-RELAXED 2-ELECTRONS DERIVATIVES (E.V.)'/ ' I J K L d')(4I5,F20.10)(' NON-RELAXED GRADIENT COMPONENT',F10.4, ' KCAL/MOLE')DERI1BEFORE DERI1 F IN DERI1 GSE:AFTER DERI1?V-7@U@WVSM MAMčEM)MEȉE̋M+MM]E EM(M܋E,E؋M0MԋE4EЋ le9 (tbjhhRhSu EE \HHHE @M ‰|H ( le=\Htj hR@HDHMbP?EHEVUUUM)ʉ@,HIMIM ) 8Hh@Hh8Hh,HhpH}؃WuԃV]S S5@H@Hh`e]ЃSh`eVh|H0h,Hhh$hDh`WhAh;Sdn$SVh;E PmpH @HM|HLH9LH#LHM @HLH9LH~ދE LH9LHKh`eM QELHMLQEЃPM LHEDPLH9LH~XH=JptT=JptKhJpMQE PMċE QhJpJp@E̋MLQJpJpXH=Jp=JptThJp XHMMQE PMċE QhJp@E̋MLQJpJpXH=JptU=JptLhJp XHMMQE P JpAMȋEDPhJp AM̋EDPM$LH9LH#MLH &LH9LH~݃=\Hhpe j hRh`ehde 蝠 E$PH=PH~ PHhe{ PHLH9LH-j LHMMQh`e LH9LH~N} XH(H4H(HB`H4H5(H4Jp5(HJpC]dH9}dHJpJpU5hH9~hHhH9dHӡdHLH9LH9`H}lLH+`HEMQXHEEPM QE`HMLQh`eELHMLQDXHLH+`HXHLH9LHu4H=4H XH 0HJpJpJp@LH9PM QELHMLQELHMLQ(XHMXH LH9LH~UЃREԃPRM؃Qh,HE P JpAM̋EDP<JpLH9LHJpEPH}LH=JpTH9=THo5JpXH95XHI XHM THPH ݀x @HݘxXH95XH~TH9=TH~PHPH9EeLH9LH1MċE4Vh@bhH 0H+ JpE܍P =\Ht>heW jhRh`ehde9 jhHh`ehhe# $Ӝ hJphJp]؃SV h`ehJphKpSV*$hJpVhKp&MS =\HHHehev jMQh`e sy HHehev Zy HH ehev 5JpLH95LH1jLH0HM܍LQh`e艒 LH95LH~x HHeheGv x 5JpLH95LH=LHPH9=PHgLHETH}9THxH9LHu PHxHxHXH9XHHHfheu Jp LHMjEPh`e藑 Jp PHMjEPh`ex Jp THMjEPh`eY Jp XHM(jEPh`e7 j XHM THPH  LHxPh`e rw XH9XHTHTH9EPH9=PHLH95LHk HH fhfwt jEPh`e v j hR1e[^_]MINDOUWVS]]} ]]=HftGH H_BHfjhh^hvj ÃH@EH9H&HDH]9H~ۋ]CHH]H@]]ËLH H]@HH H`HH+H$fأH`]H9H3H+@؋$fHH]9H~H`]H9HH]9@HH H`H@]H] ]hHRDP]@]DPhHhH]@]H] #]hPHH@DP]@]DPhHhH譾H(H9H5HH9iH]HHHHHHHHHH]9G HHHHHŰH$HH]9H~H95HcH]HH95HHHHHHHHHHH9EH HHHHŰH$HH95H~H]9HeH HH+@$fH=HG]@]H] ]hHhHhHhHhHhHRDP]@]DPhHhH< HH]@]H] #]Ã(hHhHhX Hh HhHhHH@DP]@]DPhHhH(H9 H+ HpH95H HHHH$ՀH]\H95H~]@]H] ]hHhHhHhHhHhHRDP]@]DPhHhH HH]@]H] #]Ã(hHhHhX Hh HhHhHH@DP]@]DPhHhH耿(H9 H+ HpH95H)HH$ŀHHH95H~H5H HH97HHH] H Ӌ HLH95H~ɋ]@]]H HÉL]H%HH5HHH9HHHHHHH] H9<HHHHŨH$ HH]9H~H95H~H]HCH]9H? HAHHH% Hlj H]9~HH]HH9HHHHHH5H H9:HHHHH$P HH95H~H]9H~5HHCH9< HAHHH%X Hlj H9~H]9HB1e[^_]Ð(' THE BAB MATRIX OF ORDER',I3, ' IS SINGULAR IN DERI2'/ ' THE RELAXATION IS STOPPED AT THIS POINT.')(' RELAXATION ENDED IN DERI2 AFTER',I3, ' CYCLES'/' REQUIRED CONVERGENCE THRESHOLD ON RESIDUALS =' ,F12.9/' HIGHEST RESIDUAL ON',I3,' GRADIENT COMPONENTS = ' ,F12.9)(A)(' ELAPSED TIME IN RELAXATION',F15.3,' SECOND') (' * * * GRADIENT COMPONENT NUMBER',I4)(' C.I-ACTIVE M.O. DERIVATIVES IN M.O BASIS', ', IN ROW.')(8F10.4)(' C.I-ACTIVE FOCK EIGENVALUES RELAXATION (E.V.)' )(' 2-ELECTRON INTEGRALS RELAXATION (E.V.)'/ ' I J K L d RELAXATION ONLY') (4I5,F20.10)(' RELAXATION OF THE GRADIENT COMPONENT',F10.4, ' KCAL/MOLE')(' ELAPSED TIME IN C.I-ENERGY RELAXATION',F15.3, ' SECOND') DERI2 TEST: ANALYTIC C.I. DERIVATIVES DO NOT WORK FOR THIS SYSTEM ADD KEYWORD 'NOANCI' AND RESUBMIT ANALYTICAL DERIVATIVES TOO INACCURATE FOR THIS WORK. JOB STOPPED HERE. SEE MANUAL FOR IDEASDEBU{Gz?V-7@UWVSu4]@M MAMdM,)MċE EԋMME+dE؋M MAMdM<)MEEMME0+dEMMEEM+dMЋE$E@E dE )ȉEȋMME+dE̋M( MA|MD)ME8E lf9 (jhhkho[ dd H(lfE<hTfhLfc }M Mm۝xmx9E~E`ЋM(9xE!Hx9 !H~ !H=!H}9}EM$9~Йx=!H9~!HM(U!H}@x"H9~"H H"HQ Hh!HME QE(MLEčPMEč Qh"HEPM(QEMЍPl H "HA "H"H!HM(U H 9 H H H H9 H~!HU"H H9<EMčtM HEȍDPMQE HMLQtPMQPE HMLQEM؍PW h!H H+ HpQEPME Qh\fE HMLQܽ"HHx H9 HW5 H)< H)э pp pp Hx9 H~ HE9 H H !Hx H9 HppE H9 HY H+ H<p H H H pp LpLp H95 H~ Hx9 Hth Hh!HhMp8'  HD@ua=!Ht#hpf` jh!Hh\f| Dc  H !H= Hd H= HuQ!H+"H@EMQE"HMLQEPM "HEDPM(QEMЍP蕾=!Ht-M(Qh]ph!H|MPh!HhMp= H H H HM( M H}@EMč H< Hh\fSh!H HH!H ]pQEPME Q޺ H HEx H9 Hmu5 HU H HEȋE$UNlt Ht H H Hx9 H~= Ht>hfZ jhkh\fh`f< jh Hh\fhdf& $փ  H Ht H H HEHEt'؋ H HE(88!H H!HH9uBVlUMHÈ@rEtU H HC9!H Hh\f !H HMEDPh\fSMQԷ H H9E= Htx!H@"Hh HMȋEDP HɋEDMč QEMčPh HMQh HE"HMLQ H!H "H!H= Hu = Hhf\ !H+ !HMjEPh\fx jMHQh\fx jE(Ph\fx (jh Hh\fwx ^ !H9 !HuRhf?\ j6hkh\fFx ^ hf\ j"hkh\f&x ^ jhk} ~ Hhf[  H% H]jEPh\fw V^ = HtZhf[ j/hkh\fw *^ hf[ j/hlh\fw ^ jhk} "H=!Ht.E(PMEЍ Qh!Hh]pEPME Q誶E(E H}~mM x H9 H?] H HEС H &M Hx9 H~ H H9E}=!Ht1M(Q|MPh!Hh]pM$QEMȍPM( x H9 HEMlMEč ȉhEPh]plQ HHM$MLEPMԃQE HM̍LQE HMЍLQ^hhfhhЁqhJpEP JpEDM Q:4= H-hgpY jh Hh\fwu [ jhhIlhO h$g/Y [ EJp@ H Jp JpMJp@ H9E||h8gX HMO H H9= H-jE HM Qh\ft  H9= H~.[ E H H H9M}hLgpX [ h`gaX JpJpE JpA H9M|4j Hd\pPh\f6t  H H9M}Z htgW Z JpE H}= H H9= HY H H9 H+ H!H9 Hu H!H5!H H95 Hhg\W Jp HEjMQh\fVs Jp HEjMQh\f8s Jp HEjMQh\fs Jp HE܃(jMQh\fr j Hd H  H H xQh\fr 2Y  H95 H H9 H H9= H H H9EwhPM JpEčDPh"Hh]pNhJphJplQhP h\fhJphKplQhPطhJphQhKp ^l HM = HtAhgU hJphPhKp~ ^l]jMQh\fq X  Hx9 H== Ht-hgBU % H]jEPh\f A hgy> =g"H9="H.j"HEPhgYZ "H9="H~@ 1e[^_]Ð(A)(//,A)(6F12.6)(/,A,/)(5F12.6)(' GEO AT START OF DERIV')(F19.5,2F12.5)(//,3(A,/),I3,A)(' GRADIENTS')(10F8.3)(' ERROR FUNCTION')(' COSINE OF SEARCH DIRECTION =',F30.6)RESTARTDERIVPREC XYZGEO-OKC.I.1SCFAIDERFOR005OLDZERO KEYWORD "AIDER" SPECIFIED, BUT NOT PRESENT AFTER Z-MATRIX. JOB STOPPED FAULT IN READ OF AB INITIO DERIVATIVES DERIVATIVES READ IN ARE AS FOLLOWS AB-INITIO DERIVATIVES IN KCAL/MOL/(ANGSTROM OR RADIAN) AB-INITIO DERIVATIVES FOR VARIABLES AB-INITIO DERIVATIVES AFTER SYMMETRY WEIGHTINGNOANCIDOING ANALYTICAL C.I. 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܊@(܊8@0܊@@8܊P@@܊h@H܊@P܊@X܊@`܊@h܊@p܊@x܊݀܊@܊@܊@܊@ ܊ @(܊@@0܊H@8܊X@@܊p@H܊@P܊@X܊@`܊@h܊@p܊@x܊݀܊$@܊@܊@܊@ ܊(@(܊P@0܊X@8܊`@@܊x@H܊@P܊@X܊@`܊@h܊@p܊@x܊݀܊,@܊@܊ @܊(@ ܊0@(܊h@0܊p@8܊x@@܊@H܊@P܊@X܊@`܊@h܊@p܊@x܊݀܊ 4}} 9}9H} 99$Ŵ9 ~9~}9l} 9JH$մ9~9 ~1e[^_]Ð(//10X,'HEAT OF FORMATION =',F12.6, ' KCALS/MOLE')(//10X,'INTERNAL COORDINATE DERIVATIVES',//3X, 'NUMBER ATOM',2X,'BOND',9X,' ANGLE',10X,'DIHEDRAL',/)(I6,4X,A2,F13.6,2F13.6)(//10X,'GRADIENT NORM =',F10.5)(///1X,'** GRADIENT IS VERY LARGE, BUT SINCE "LET"',' IS USED, CALCULATION WILL CONTINUE')(///1X,'** GRADIENT IS TOO LARGE TO ALLOW ', 'FORCE MATRIX TO BE CALCULATED, (LIMIT=10) **',//)(//10X,' GEOMETRY WILL BE OPTIMIZED FIRST')(15X,'USING NLLSQ')(15X,'USING FLEPO')(//10X,'GRADIENT NORM =',F10.7)(//30X,'**** WARNING ****',// 10X,' GRADIENT IS VERY LARGE FOR A THERMO CALCULATION',/ 10X,' RESULTS ARE LIKELY TO BE INACCURATE IF THERE ARE')(10X,' ANY LOW-LYING VIBRATIONS (LESS THAN ABOUT ' ,'400CM-1)')(10X,' GRADIENT NORM SHOULD BE LESS THAN ABOUT ', '0.2 FOR THERMO',/10X,' TO GIVE ACCURATE RESULTS')(//10X,'TIME FOR SCF CALCULATION =',F8.2)(//10X,'TIME FOR DERIVATIVES =',F8.2)(//10X,'SYMMETRY WAS SPECIFIED, BUT ', 'CANNOT BE USED HERE')(/9X,'ORIENTATION OF MOLECULE IN FORCE CALCULATION')(/,4X,'NO.',7X,'ATOM',9X,'X', 9X,'Y',9X,'Z',/)(I6,7X,I3,4X,3F10.4)(//10X,' FULL FORCE MATRIX, INVOKED BY "DFORCE"')(//10X,' FORCE MATRIX IN MILLIDYNES/ANGSTROM')(//10X,'TRIVIAL VIBRATIONS, SHOULD BE ZERO')(/, F9.4,'=TX',F9.4,'=TY',F9.4,'=TZ', F9.4,'=RX',F9.4,'=RY',F9.4,'=RZ')(//10X,'FORCE CONSTANTS IN MILLIDYNES/ANGSTROM' ,' (= 10**5 DYNES/CM)',/)(8F10.5)(//10X,' ASSOCIATED EIGENVECTORS')(//10X,' ZERO POINT ENERGY' , F12.3,' KILOCALORIES PER MOLE')(//3X,' THE LAST',I2,' VIBRATIONS ARE THE', ' TRANSLATION AND ROTATION MODES')(3X,' THE FIRST THREE OF THESE BEING TRANSLATIONS', ' IN X, Y, AND Z, RESPECTIVELY')(//10X,' FREQUENCIES, REDUCED MASSES AND ', 'VIBRATIONAL DIPOLES'/)(/)(3X,'I',10I10)(' FREQ(I)',6F10.4,/)(' MASS(I)',6F10.5,/)(' DIPX(I)',6F10.5)(' 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REDEFINED TO:',I4,/)(/10X,'IMPOSSIBLE VALUE OF DELTA S')(//10X,'C.I. IS OF SIZE LESS THAN ROOT SPECIFIED')(10X,'MODIFY SIZE OF C.I. OR ROOT NUMBER')(A,I4,A,I4)(/,' CONFIGURATIONS CONSIDERED IN C.I. ',/ ' M.O. NUMBER : ',10I4)(' ENERGY')(/10X,I4,6X,10I4)(6X,F10.4,4X,10I4)(//,' C.I. MATRIX')(' (OUTPUT HAS BEEN TRUNCATED)')(//,' DIAGONAL OF C.I. MATRIX')(5F13.6)(//20X,'STATE VECTORS',//)(//10X,'THE STATE REQUIRED IS NOT PRESENT IN THE')(10X, ' SET OF CONFIGURATIONS AVAILABLE')(/ 4X,'NUMBER OF STATES ACCESSIBLE USING CURRENT KEY-WORDS',/)((24X,A8,I4))(' ESR SPECIFIED FOR AN EVEN-ELECTRON SYSTEM')(//,' MICROSTATE CONTRIBUTIONS TO ', 'STATE EIGENFUNCTION',I3)(/,' SPIN DENSITIES FROM EACH M.O., ENERGY:' ,F7.3)(' ATOM',I4,' SPIN DENSITY ',5F10.7)(' ATOM',I4,' SPIN DENSITY ',F10.7,30X,F10.7)GEO-OKESRDEBUGMECILARGEC.I.=(C.I.=EXCIROOTSINGBIRADDOUBTRIPQUARQUINSEXT MSDEGENERATE ENERGY LEVELS DETECTED IN MECISOME OF THESE LEVELS WOULD BE TREATED BY MECI,WHILE OTHERS WOULD NOT. THIS WOULD RESULT INNON-REPRODUCIBLE ELECTRONIC ENERGIES. JOB STOPPED. 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NUMBER OF ORBITALS:',I4,/ 10X,'NUMBER OF ORBITALS IN SYSTEM:',I4)(//10X,'**** MAX. NUMBER OF TWO-ELECTRON INTEGRALS:',I8,/ 10X,'NUMBER OF TWO ELECTRON INTEGRALS IN SYSTEM:', I8)(//10X,'C.I. NOT ALLOWED WITH UHF ')(//10X,'TRIPLET SPECIFIED WITH ODD NUMBER', ' OF ELECTRONS, CORRECT FAULT ')(//' TRIPLET STATE CALCULATION')(//10X,'QUARTET SPECIFIED WITH EVEN NUMBER', ' OF ELECTRONS, CORRECT FAULT ')(//' QUARTET STATE CALCULATION')(//10X,'QUINTET SPECIFIED WITH ODD NUMBER', ' OF ELECTRONS, CORRECT FAULT ')(//' QUINTET STATE CALCULATION')(//10X,'SEXTET SPECIFIED WITH EVEN NUMBER', ' OF ELECTRONS, CORRECT FAULT ')(//' SEXTET STATE CALCULATION')(//10X,'UHF CALCULATION, NO. OF ALPHA ELECTRONS =',I 3,/27X,'NO. OF BETA ELECTRONS =',I3)(//10X,'SYSTEM SPECIFIED WITH ODD NUMBER', ' OF ELECTRONS, CORRECT FAULT ')(//' SYSTEM IS A BIRADICAL')(//' EXCITED STATE CALCULATION')(' IMPOSSIBLE NUMBER OF OPEN SHELL ELECTR ONS')(A)(' THERE ARE',I3,' DOUBLY FILLED LEVELS')(//10X,'RHF CALCULATION, NO. OF ', 'DOUBLY OCCUPIED LEVELS =',I3)(/27X,'NO. OF SINGLY OCCUPIED LEVELS =',I3)(/27X,'NO. OF LEVELS WITH OCCUPANCY',F6.3,' =',I3)(//,' NUMBER OF OPEN-SHELLS ALLOWED IN C.I. IS LESS ' /' THAN THAT SPECIFIED BY OTHER KEYWORDS')(A,I2,2A)(//10X,' INTERATOMIC DISTANCES')(//10X,' MAXIMUM NUMBER OF ATOMIC ORBITALS EXCEEDED')( 10X,' MAXIMUM ALLOWED =',I4)MOLDATPM3MINDOUHFAM1CHARGE S1978SI1978FORCE A SINGLE ATOM HAS NO VIBRATIONAL MODESTRIPEXCIBIRADC.I.QUARQUINSEXTOPEN( NUMBER OF DOUBLY FILLED PLUS PARTLY FILLED LEVELS GREATER THAN TOTAL NUMBER OF ORBITALS.C.I.=( MSC.I.= SPECIFIED SPIN COMPONENT NOT SPANNED BY ACTIVE SPACEROOTROOT=1NOANCIANALYT KEYWORD 'ANALYT' CANNOT BE USED HERE: ANALYICAL C.I. DERIVATIVES MUST USE FINITE DIFFERENCES TO CORRECT, REMOVE KEYWORD 'ANALYT' OR ADD 'NOANCI'MMOK MOLECULAR MECHANICS CORRECTION APPLIED TO PEPTIDELINKAGENOMM THERE ARE PEPTIDE LINKAGES IDENTIFIED IN THIS SYSTEM IF YOU WANT MM CORRECTION TO THE CONH BARRIER, ADD THE KEY-WORD "MMOK" THIS SYSTEM CONTAINS -HNCO- GROUPS. 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OF V(0) = LAST V(0) HALF-LIFE = FEMTOSECS HALF-CYCLE TIME = FEMTOSECONDSח4&k C{Gz?>@@"ư>#B ;p= ף?|=? j C.濐UEăj hhh4>t=jhhh>EhEPhH///?ưh/.Gjh/Cjhhh=j hhhy=t:jhhh\=EhEPh/H///?h/Fjh/jhhh<j hhh<t:jhh͇h<EhEPhG///?h/Ejh/h/ahHjhhԇhG<jhh݇h&<h/ɍM( ML/}~7j=L/}āLjWh/h/jL/L/9E}zh0hM( ML/}~5j=L/}}Wh/h/jL/L/9E}szh0 M( ML/}~7j=L/}ā\#Wh/h/:jL/L/9E}zh*0訌M( ML/}~8j=L/}āǴWh/h/iL/L/9E}yh>0FM( ML/}~5jL/@HPh/h/yiL/L/9E}QyhR0}(?}L/}~4jL/@@Ph/h/iL/L/9E}xhf0艋E(EL/}~4jL/@8Ph/h/hL/L/9E}xhz0+M( ML/}~4jL/@Ph/h/_hL/L/9E}7xh0͊}(?}L/}~4jL/@Ph/h/hL/L/9E}wh0oE(EL/}~4jL/@ŸPh/h/gL/L/9E}{wh0M( ML/}~4jL/@^Ph/h/EgL/L/9E}wh0賉}(?}L/}~4jL/@^Ph/h/fL/L/9E}vh0UE(EL/}~4jL/@]Ph/h/fL/L/9E}avh0jh/h/h/Qfjhh/h/;f$jhh/h/"fjh.h/h/ f jh.h/h/ejh #h/h/e jh#h/h/ejh<#h/h/e jh4#h/h/ejh.h/h/e jh.h/h/fejh/h/h/Pe jh.h/h/7ejh.h/h/!e jh.h/h/ejh.h/h/d jh3h/h/djh/h/h/d jM Qh/h/djh"h/h/d jhd/h/h/|djh\/h/h/fd NtREÈ@h1AcM( ML/}~7j=L/}āLjWh/h/cL/L/9E}ch1bM( ML/}~5j=L/}}Wh/h/cL/L/9E};ch.1bM( ML/}~7j=L/}ā\#Wh/h/:cL/L/9E}bhB1 bM( ML/}~8j=L/}āǴWh/h/bL/L/9E}xbhV1aM( ML/}~5jL/@HPh/h/ybL/L/9E}bhj1_a}(?}L/}~4jL/@@Ph/h/bL/L/9E}ah~1aE(EL/}~4jL/@8Ph/h/aL/L/9E}]ah1`M( ML/}~4jL/@Ph/h/_aL/L/9E}`h1E`}(?}L/}~4jL/@Ph/h/aL/L/9E}`h1_E(EL/}~4jL/@ŸPh/h/`L/L/9E}C`h1_M( ML/}~4jL/@^Ph/h/E`L/L/9E}_h1+_}(?}L/}~4jL/@^Ph/h/_L/L/9E}_h1^E(EL/}~4jL/@]Ph/h/_L/L/9E})_h 2o^jh/h/h/Q_jhh/h/;_$jhh/h/"_jh.h/h/ _ jh.h/h/^jh #h/h/^ jh#h/h/^jh<#h/h/^ jh4#h/h/^jh.h/h/^ jh.h/h/f^jh/h/h/P^ jh.h/h/7^jh.h/h/!^ jh.h/h/^jh.h/h/] jh3h/h/]jh/h/h/] jM Qh/h/]jh"h/h/] jhd/h/h/|]jh\/h/h/f] ],h 0h;"`EL/}~7L/`X/Ֆ$00L/L/9E}Z3gh 7h/hghghgh`EPIgc=/#=..=..E P ..}W ##W ##}W<#@#W 4#8#P/}(?}L/9E|o5P/L/ R<7704Mы\]]M؋ы\L/ L/9M}P/=P/b}(?}L/}L/R @DHL8<@D<778<^^^ ^]]^^E<Ћ\]]E؋<Ћ\L/L/9E..//b.È@r/.t//M( ML/}L/RPPPh/h/8P@PHR L/RȬPPPh/h/]P^P^RA L/RPPxPh/h/PPR L/L/9E=..=4/8/....M 9Q=..h /h/h.h/h/h.h.h4/s<#@#D#H# 4#8# <#@#}W4#8# h\#hT#hL#h/h/h4#h<#hD# ## ##=##= ##EP ## h,#h$#h#h/h/h#h #h#=//=%/]jMQh/>j hCh/>(B%==//E(EL/}~. L/}؋ωʹT͸L/L/9E},#È@rjjhhD/GjjhhH/Gjjh/h/hH/hD/h/h 0h/hl/h.h/hL#h#hM(QhhhЬ33EL/}3=L/3jjhhD/(GjjhhH/G jjh/h/hH/hD/L/E3Ph 0h/hl/h.h/hL#h#hM(QhhhЬLL/=L/9}=3.3....33../1e[^_]ÐUWVSM} UEu$!]!  !2] ]QS1e[^_](10X,'ERRORS DETECTED IN CONNECTIVITY')(A,I3,A,I3,A,I3,A)(10X,A)(//10X,' NUMBER OF ATOMS IN SECOND SYSTEM IS ', 'INCORRECT',/)(' NUMBER OF ATOMS IN FIRST SYSTEM =',I4)(' NUMBER OF ATOMS IN SECOND SYSTEM =',I4)(//10X,' GEOMETRY OF SECOND SYSTEM',/)(//,' CARTESIAN GEOMETRY OF FIRST SYSTEM',//)(3F14.5)(//,' CARTESIAN GEOMETRY OF SECOND SYSTEM',//)(//,' "DISTANCE":',F13.6)(//,' REACTION COORDINATE VECTOR',//)(///10X,'THERE ARE NO VARIABLES IN THE SADDLE', ' CALCULATION!')(//,3(5X,A,/))(' ',40('*+'))(' BAR SHORTENED BY',F12.7,' PERCENT')(//10X,'FOR POINT',I3,' SECOND STRUCTURE')(//10X,'FOR POINT',I3,' FIRST STRUCTURE')(' DISTANCE A - B ',F12.6)(' ACTUAL GRADIENTS OF THIS POINT')(8F10.4)(' HEAT ',F12.6)(' GRADIENT NORM ',F12.6)(' DIRECTION COSINE',F12.6)(//10X,' BOTH SYSTEMS ARE ON THE SAME SIDE OF THE ','TRANSITION STATE -',/10X,' GEOMETRIES OF THE SYSTEMS', ' ON EACH SIDE OF THE T.S. 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OF ORBITALS', ' ON ATOM')?UVSE] uUHwl$5 X6 6 6 6 7 H7 x7 7 7 8 88 h8 8 8 %: %: %: 8 %: %: %: (9 X9 9 9 Nň+ Ō+NŮ Ų N+ +N nN8+ <+N^ b >N NŶ ź N` dN  NŸ żNf j N Nž § ~Np tN  NN Nn r N  N. 2 N.  2 Nņ Ŋ Nņ ŊN N N6 : ^N6 :NŎ Œ .N NƱ ʱ )))N@ D)))NŰ Ŵ)))N $q}U Um8 m5 }E EmL$m=L$ t-=L$t$=L$thiTjh5 1e[^] ------UWVS}}=``} 9$95$jjh0: $HE)P蠽jj$`HE P$HE,Pt$$ $95$~w} 9$95$C$ @ l.h.`$$Ӊ $9t$jj$HEiP$HE)P豼jj$HE P$HE,P茼$$$ $9$~$95$9z} }أ$$95$Ujjh0: $HE)Pjjh0: $HE,P$$ $95$~} }أ$$jjh3: $H@EP$P衻$=$~ϡ$@$)`.\.d.\.H=$)lj=$~ $=$ X.\.$H$h2j.5$\.$9ej$HE)Phij$HE,Phij=$$Phi۰$$95$~EhFj裔5X.$95$.j$H@EP$Phi胰 $95$~5$\.$9$d.$H$$$=$=$=$9~$=\.=$`.d.2hZjϓbhnj$\.$9ej$HE)Phi覯j$HE,Phi茯j=$$Phim$$9$~וhj5X.$9$.j$H@EP$Phi $9$~`.d.hjɒj$HE)PhiǮj$HE,Phi譮j=$$Phi莮$$$(9/j=$EPhiY $9$~Ô$95$$9)~\`.d.`.=$G=\.`.$J)Ѓ2L`.hj近R+1e[^_](/,' ----',15('-----'))(//4X,A58)(4X,A58)(//30X,A7,' CALCULATION')(55X,'VERSION ',F5.2)(55X,A24)(//,' FOR SOME REASON THE SCF CALCULATION FAILED.',/,' THE RESULTS WOULD BE MEANINGLESS, SO WILL NOT BE PRINTED.')(' TRY TO FIND THE REASON FOR THE FAILURE BY USING ','"PL".',/, ' CHECK YOUR GEOMETRY AND ALSO TRY USING SHIFT OR PULAY. ')(////10X,'FINAL HEAT OF FORMATION =',F17.5,' KCAL' )(/)( 10X,'TOTAL ENERGY =',F17.5,' EV' )( 10X,'ELECTRONIC ENERGY =',F17.5,' EV' )( 10X,'CORE-CORE REPULSION =',F17.5,' EV' )( 10X,'DIELECTRIC ENERGY =',F17.5,' EV' )(1X)( 10X,'GRADIENT NORM =',F17.5)(A)( 10X,'FOR REACTION COORDINATE =',F17.5 ,' ANGSTROMS')( 10X,'FOR REACTION COORDINATE =',F17.5 ,' DEGREES')( 10X,'REACTION GRADIENT =',F17.5,A14 )( 10X,'IONIZATION POTENTIAL =',F17.5)( 10X,'NO. OF ALPHA ELECTRONS =',I11)( 10X,'NO. OF BETA ELECTRONS =',I11)( 10X,'NO. OF FILLED LEVELS =',I11)( 10X,'AND NO. OF OPEN LEVELS =',I11)( 10X,'MOLECULAR WEIGHT =',F11.3)(10X,'SCF CALCULATIONS = ',I14 )(///7X,'FINAL POINT AND DERIVATIVES',/)(' PARAMETER ATOM TYPE ' ,' VALUE GRADIENT')(I7,I11,1X,A2,4X,A11,F13.6,F13.6,2X,A13)(///)(//10X,' INTERATOMIC DISTANCES')(//' MOLECULAR POINT GROUP : ',A4)(//10X,A5,' EIGENVECTORS ')(//10X,' BETA EIGENVECTORS ')(//10X,A5,' EIGENVALUES',/)(8F10.5)(//10X,' BETA EIGENVALUES ')(//13X,' NET ATOMIC CHARGES AND DIPOLE ', 'CONTRIBUTIONS',/)(8X,' ATOM NO. TYPE CHARGE ATOM' ,' ELECTRON DENSITY')(I12,9X,A2,4X,F13.4,F16.4)(//10X,'CARTESIAN COORDINATES ',/)(4X,'NO.',7X,'ATOM',15X,'X', 9X,'Y',9X,'Z',/)(I6,8X,A2,14X,3F10.4)(' FOCK MATRIX IS ')(//,20X,' DENSITY MATRIX IS ')(//10X,'ATOMIC ORBITAL ELECTRON POPULATIONS',/)(//10X,'SIGMA-PI BOND-ORDER MATRIX')(//20X,'(SZ) =',F10.6)( 20X,'(S**2) =',F10.6)(//10X,'SPIN DENSITY MATRIX')(//10X,'ATOMIC ORBITAL SPIN POPULATIONS',/)(//10X,' HYPERFINE COUPLING COEFFICIENTS',/)(5(2X,A2,I2,F9.5,1X))(/10X,'BONDING CONTRIBUTION OF EACH M.O.',/)(/10X,'BONDING CONTRIBUTION OF EACH ALPHA M.O.',/)(/10X,'BONDING CONTRIBUTION OF EACH BETA M.O.',/)(//10X,' LOCALIZED BETA MOLECULAR ORBITALS')(' FINAL ONE-ELECTRON MATRIX ')(//10X, 'MULTI-ELECTRON CONFIGURATION INTERACTION CALCULATION',//)(/10X,' MULLIKEN POPULATION ANALYSIS')(/10X,' DATA FOR GRAPH WRITTEN TO DISK')(//20X,' SUMMARY OF ',A7, ' CALCULATION',/)(60X,'VERSION ',F5.2)(//10X,'HEAT OF FORMATION =' ,F17.6,' KCAL')( 10X,'ELECTRONIC ENERGY =' ,F17.6,' EV')( 10X,'CORE-CORE REPULSION =' ,F17.6,' EV')( 10X,'GRADIENT NORM =' ,F17.6)( 10X,'FOR REACTION COORDINATE =',F17.4 ,' ANGSTROMS')( 10X,'FOR REACTION COORDINATE =',F17.4 ,' DEGREES')( 10X,'REACTION GRADIENT =',F17.6,A14 )( 10X,'DIPOLE =' ,F16.5, ' DEBYE')( 10X,'(SZ) =',F17.6)( 10X,'(S**2) =',F17.6)( 10X,'NO. OF ALPHA ELECTRONS =',I10)( 10X,'NO. OF BETA ELECTRONS =',I10)( 10X,'NO. OF FILLED LEVELS =',I10)( 10X,'AND NO. OF OPEN LEVELS =',I10)( 10X,'CONFIGURATION INTERACTION WAS USED')( 10X,'CHARGE ON SYSTEM =',I10)( 10X,'IONIZATION POTENTIAL =' ,F17.6,' EV')( 10X,'MOLECULAR WEIGHT =',F14.3)( 10X,'SCF CALCULATIONS =' ,I10)(//10X,'FINAL GEOMETRY OBTAINED',36X,'CHARGE')(//,A)**NULL** UHF GRAD SING TRIP EXCI C.I. 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N?-??'?!d?e2? )?7]g?'x?УrtK?wHֆ/8?????wHֆ/8?:/_ ?\Dz?$?:<&w?2W?W?MW?MWf^?1Â?:d[H??<D?O?>FZ?ODYG??޽??!<8b?j/혺?Q?qx?g?zю?e%?u|H?3`?}F?؛?T2T?IIC?r75|?lyzL?Gz?333333?N ^?c>?f67? / ?T7?^f(?̘5Φ?p0?y[X?#Ƥ?Cb?xak?io?)x @RHڍ>@&5?+O8@7w?Sr3? c?WW*?\<@xcAaP? i@mV}"?R %S?ϛT?h׿+@\Va3@y@V@gE("@@+m?rfB?'2sc? ϛ?ظ]y???VΆ?4%6?}"O.?G ?YO0@!?| q@_(?k?"?Sͬ4?C??%`?N??8d@ @5@Yk(?IV?lu?#,*tr @Zc!?Q,Z?/M?CX@`?$z?D$]s?V s?PB?C@@W9!@V J@Gz4C@= ףp=S@fffff`@Gz\e@@\@d;OM@p= 2@9@A@(\S@)\[@GzR@P@= ףp<@Qk5@LE@33333V@33333\@^@W@P@33333X@Y@33333Y@,T@Q+?@YP@`V@33333R@fffff&K@= ףp:@3@̌C@`Y@0b@̌e@c@pc@`@V@fffffQ@Q:@M@ R@O@G@1Z9@333332@@E@33333SY@33333H@33333R@,B@b@\g@33333ci@ g@g@d@fffff`@V@zGa-@fffffE@(\OG@ I@i@(\5+RQ.ףp= W5(\;fffffAE$@R15ףp= 7(\B9$@$@$@$@$@ ףp= !Gz'Gz,)\1p= 4Q!Gz$R(Gz..]]^^y^^^__*_8_^F_f___^`G`\sjsus\sssUUUUUU??@@@@$@(@,@0@$@@@@@@@ @$@@@@@@ @$@(@,@"@$@?@$@$@.@5@<@?@$@.@5@<@F@?@@$@.@5@B@??@@@@@@?@@@@@@?@@@@?@@@@?@@@@@@?@@@??@???@@@@@@?@@@@@@@@@@@@@@@@@@@@@@??@@@@@@?@@@@@?@@@@@?@@@@@?@@@@@?@@@@@?@@@@@@ @$@$@?@@@@@ @$@$@$@???@@@@@@"@$@$@?????????????????????????????????????????????????????????????????@@@ @$@@@@ @$@@@@ @$@@@@ @$@@@@ @$@?@@$@?@@$@?@@$@?@@$@?@@$@( ,1x,OUTPUT INCLUDES DEBUG INFORMATION,//)Z$Dl 4\Ԇ$Ltć<d܈P?75(1CYCLE DETECTED IN SUBROUTINE EA08 -STOPPING NOW)]75(1LOOPING DETECTED IN EA09-STOPPING NOW )V]??4X}  123456789USS UPP UDD ZS ZP ZD BETASBETAPBETADGSS GSP GPP GP2 HSP AM1 EXPC GAUSSALP GSD GPD GDD FN1 FN2 FN3 ORB H HELIBEB C N O F NENAMGALSIP S CLARK CASCTIV CRMNFECONICUZNGAGEASSEBRKRRBSRY ZRNBMOTCRURHPDAGCDINSNSBTEI XECSBALACEPRNDPMSMEUGDTBDYHOERTMYBLUHFTAW REOSIRPTAUHGTLPBBIPOATRNFRRAACTHPAU NPPUAMCMBKCFXXFMMDCB+++ --- TV Y@-C6?hhh{hhhS-SIGMAP-SIGMA P-PI P-PI D-SIGMA D-PI D-PI D-DELL D-DELL         <0<F<M<S<g<F<~<M<M QQQR%RRR - @@ gph+i+i/i+i+ipiiiii1jjj1k$@4H$@ LLPLPLW`h`h`hqPĔؔ tt̫ث̫ث̫ث? . i ??@ ??@@8@^@@@@&AKAAA2A?@@8@^@@@@&AKAAA2A(;L4BuwsBЇuwB7B ?@@8@^@@@@&AKAAA2A(;L4BuwsBЇuwB7B$@HHHHI-I:IIJ -.@/@kg{@K@D$X@FA@cxg@E,ba@/@.@/@kg{@K@D$X@FA@cxg@E,ba@/@( DIPOLE,11x,X Y Z TOTAL,/, POINT-CHG.,4f10.3/, HYBRID,4x,4f10.3/, SUM,7x,4f10.3)D|| ?? # ) # 3 # <Ղ  )  3  ܂ @_m_R37]?                  @@??{Gz?@?@?{Gz?ư>( CYCLE:,i4, TIME:,f7.2, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g13.7)( RESTART FILE WRITTEN, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g13.7)(1x,WARNING! EXACTLY 3N VARIABLES. EF ASSUMES THIS IS A CARTESIAN OPTIMIZATION.,/,1x,IF THE OPTIMIZATION IS, IN INTERNAL COORDINATES, EF WILL NOT WORK)(/,10x,HESSIAN HAS,i3, NEGATIVE EIGENVALUE(S),6f7.1,/)(5x,ACTUAL, PREDICTED ENERGY CHANGE, RATIO,2f10.3,f10.5)(1x,energy raises ,f10.4, rejecting step, ,reducing dmax to,f7.4)(1x,gradient norm raises ,f10.4, rejecting step, ,reducing dmax to,f7.4)(1x,unacceptable ratio,, rejecting step, reducing dmax to,f7.4)(5x,STEPSIZE USED IS,f9.5)(5x,CURRENT TRUST RADIUS = ,f7.5)(/,5x,TRUST RADIUS NOW LESS THAN ,f7.5, OPTIMIZATION, TERMINATING,/,5x, GEOMETRY MAY NOT BE COMPLETELY OPTIMIZED)(/,5x,RMS GRADIENT =,f9.5, IS LESS THAN CUTOFF =,f9.5,//)(/,5x,NOT ENOUGH TIME FOR ANOTHER CYCLE)(/,5x,EXCESS NUMBER OF OPTIMIZATION CYCLES) (7  [ [ERBWיQ +u (/,*** WARNING! MORE VARIABLES THAN DEGREES OF FREEDOM,/)----?:0yE>?$@?@@@{Gz?ư>$@-q=(5x,WARNING! MODE SWITCHING. WAS FOLLOWING MODE ,i3, NOW FOLLOWING MODE ,i3)(/,5x,TS MODE IS NUMBER,i3, WITH EIGENVALUE,f9.1,/,5x,AND COMPONENTS,/)(5x,8f9.4)(1x,lamda that maximizes along ts modes = ,f15.5)(1x,lamda that minimizes along all modes = ,f15.5)(1x,pure NR-step has length,f10.5)(1x,P-RFO-step has length,f10.5)(5x,CALCULATED STEP SIZE TOO LARGE, SCALED WITH,f9.5)j Jʡ@@@@@i@MbP?(/,10x,DIAGONAL MATRIX USED AS START HESSIAN,/)(/,10x,HESSIAN READ FROM DISK,/)(/,10x,HESSIAN CALCULATED NUMERICALLY,/)(/,10x,HESSIAN CALCULATED DOUBLE NUMERICALLY,/)ۣPPPPP(5x,HESSIAN MODE FOLLOWING SWITCHED ON/ FOLLOWING MODE ,i3)(5x,OVERLAP OF CURRENT MODE,i3, WITH PREVIOUS MODE IS ,f6.3)(5x,OVERLAP LESS THAN OMIN,f6.3, REJECTING PREVIOUS STEP)(5x,OVERLAP LESS THAN OMIN,f6.3, BUT TRUST RADIUS,f6.3, IS LESS THAN,f6.3,/,5x, ACCEPTING STEP)Hǥ???(1x,EVERY DIAGONAL ELEMENTS ARE ZERO ?,3f20.10)(/,3x,8i9)(1x,i3,8f9.1)(/,4x,8f9.1,/)(1x,i3,8f9.4)ƧѧƧߧ(/,5x,HESSIAN IS NOT BEING UPDATED,/)(/,5x,HESSIAN IS BEING UPDATED USING THE POWELL UPDATE,/)(/,5x,HESSIAN IS BEING UPDATED USING THE BFGS UPDATE,/)(///,*** SUMMARY OF ENERGY PARTITION ***)( ,---------------------------------------)(/, ELECTRON-NUCLEAR (ONE-ELECTRON) ,f17.4, EV)( ELECTRON-ELECTRON (TWO-ELECTRON) ,f17.4, EV)(/, TOTAL OF ONE-CENTER TERMS ,18x,f15.4, EV)(/, RESONANCE ENERGY,8x,f15.4, EV)( EXCHANGE ENERGY ,8x,f15.4, EV)(/, EXCHANGE + RESONANCE ENERGY: ,f15.4, EV)(/, ELECTRON-ELECTRON REPULSION,f12.4, EV)( ELECTRON-NUCLEAR ATTRACTION,f12.4, EV)( NUCLEAR-NUCLEAR REPULSION ,f12.4, EV)(/, TOTAL ELECTROSTATIC INTERACTION ,f15.4, EV,/)( GRAND TOTAL OF TWO-CENTER TERMS ,17x,f15.4, EV)( ETOT (EONE + ETWO) ,30x,f15.4, EV//)t҄-YhYUƩ+^ƩÆIvܫƩ XYZ(// APPLIED ELECTRIC FIELD MAGNITUDE: ,f15.5)(// ATOMIC CONTRIBUTION TO THE POLARIZABILITY: ,f15.6,/, (IT IS ONLY APPLIED TO THE E4 RESULT))(//, ****** FIELD IN ,a1, DIRECTION *****,/)( FIELDS OF: ,5x,F,21x,2F)( ENERGY:/, + ,2(f20.10,3x),/, - ,2(f20.10,3x),/, DIPOLE:/, + ,2(f20.10,3x),/, - ,2(f20.10,3x))(/, ,12x,+,+,15x,+,-,15x,-,+,15x,-,-)( E ,4f15.6)( 2E ,4f15.6)(//, ,30(*), DIPOLE ,30(*),//)(21x,E4,13x,DIP,/)(5x,a1,7x,2f15.6)(// MAGNITUDE: ,2f15.6, (A.U.),/, ,12x,2f15.6, (DEBYE))(//, ,22(*), POLARIZABILITY (ALPHA),21(*),//)( COMPONENT,12x,E4,13x,DIP,/)( ,5x,a4,5x,2f15.6)(//, AVERAGE POLARIZABILITY:,8x,E4,13x,DIP,/, ,24x,2f15.6, A.U.,/, ,24x,2f15.6, ANG.**3,/, ,24x,2(1pd15.6), ESU)(//, ,30(*), SECOND-ORDER (BETA),25(*),//)( COMPONENT,2(12x,E4,10x,DIP,2x),/)( ,5x,a4,2(5x,2f12.3))(//, VECTOR COMPONENTS GIVEN BY:,/, BI = (2/5)*(BI11+BI22+BI33)/)( ,6x,a2,2(6x,2f12.3))(// VALUE OF BETA ALONG THE DIPOLE MOMENT:/)( ,4x,B(AU),2(5x,2f12.3,2x),/, ,4x,B(ESU),4x,2f12.3,7x,2f12.3, (X10-30))(// ,24(*), THIRD-ORDER (GAMMA),24(*),//)( ,17x,E4,8x,DIP,16x,E4,8x,DIP,/)(5x,a4,2f12.3,5x,2f12.3)(// AVERAGE GAMMA GIVEN BY:,/, (1/5)*[GXXX + GYYY + GZZZ + 2.0*(GXXYY + GXXZZ + GYYZZ)])(/ ,1pd12.5,1pd12.5,5x,1pd12.5,1pd12.5, A.U./, ,8x,1pd12.5,1pd12.5,5x,1pd12.5,1pd12.5, ESU (X10-36))+Xϰ;q2e =³g( FUNCTION VALUE=,f13.7, WILL NOT BE REPLACED BY VALUE=,f13.7,/10x,CALCULATED BY RESTART PROCEDURE,/)( FUNCTION VALUE=,f13.7, IS BEING REPLACED BY VALUE=,f13.7,/10x, FOUND IN RESTART PROCEDURE,/,6x,THE CORRESPONDING X VALUES AND GRADIENTS ARE ALSO BEING REPLACED,/)(//,5x,SINCE COS=,f9.3,5x,THE PROGRAM WILL GO TO RE,START SECTION,/)( ,AT THE BEGINNING OF CYCLE,i5, THE FUNCTION VA LUE IS ,f13.6/, THE CURRENT POINT IS ...)( GRADIENT NORM = ,f10.4/, ANGLE COSINE =,f10.4)( THE CURRENT POINT IS ...)( ,3x,I,9x,i3,9(8x,i3))( ,1x,XPARAM(I),1x,f9.4,2x,9(f9.4,2x))( ,1x,GRAD (I),f10.4,1x,9(f10.4,1x))( ,1x,PVECT (I),2x,f10.6,1x,9(f10.6,1x))( , -ALPHA.P.G =,f18.6,/)(//,10x,HERBERTS TEST SATISFIED - GEOMETRY OPTIMIZED)( ,//,20x,SINCE COS WAS JUST RESET,THE SEARCH, IS BEING ENDED)( ,20x,COS WILL BE RESET AND ANOTHER ,ATTEMPT MADE)(/, NUMBER OF COUNTS =,i6, COS =,f11.4,/, ABSOLUTE CHANGE IN X =,f13.6, ALPHA =,f11.4,/, PREDICTED CHANGE IN F = ,g11.4, ACTUAL = ,g11.4,/, GRADIENT NORM = ,g11.4,//)( TEST ON X SATISFIED)( HEAT OF FORMATION TEST SATISFIED)( TEST ON GRADIENT SATISFIED)(20x,HOWEVER, A COMPONENT OF GRADIENT IS ,LARGER THAN,f6.2,/)(10x, THERE HAVE BEEN,i2, ATTEMPTS TO REDUCE THE , GRADIENT.,/10x, DURING THESE ATTEMPTS THE ENERGY DROPPED, BY LESS THAN,f4.1, KCAL/MOLE,/10x, FURTHER CALCULATION IS NOT JUSTIFIED AT THIS TIME.,/10x, TO CONTINUE, START AGAIN WITH THE WORD "PRECISE")( PETERS TEST SATISFIED )( RESTART FILE WRITTEN, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g13.7)( CYCLE:,i4, TIME:,f7.2, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g13.7)(20x,THERE IS NOT ENOUGH TIME FOR ANOTHER CYCLE,/,30x,NOW GOING TO FINAL)Foƹxκ?l#»A)Bhʽվ= =)?x|?L; J 1\?KK1LILiLL2M^MrMMMSNNN%OOOOOP%PWPKPPQZQcQQQ4RRRRRRS(S@@ _B?@{Gz??{Gz??s @^ ALPHA BETA( FOCK MATRIX ON ITERATION,i3)(//10x,"""""""""""""UNABLE TO ACHIEVE SELF-CONSISTENCE,/)(//,10x,DELTAE= ,e12.4,5x,DELTAP= ,e12.4,///)(10x,a, EIGENVALUES ON ITERATION,i3,/10(6g13.6,/)) jbn.bb`e`ʡ( ---QLINMN ,/5x,LEFT ...,f17.8,2f17.11/5x,CENTER ...,f17.8,2f17.11,/5x,RIGHT ...,f17.8,2f17.11,/)(5x,LEFT ...,f17.8,2f17.11,/5x,CENTER ...,f17.8,2f17.11,/5x,RIGHT ...,f17.8,2f17.11,/5x,NEW ...,f17.8,2f17.11,/)VH HELIBEB C N O F NENAMGALSIP S CLARK CASCTIV CRMNFECONICUZNGAGEASSEBRKRRBSRY ZRNBMOTCRURHPDAGCDINSNSBTEI XECSBALACEPRNDPMSMEUGDTBDYHOERTMYBLUHFTAW REOSIRPTAUHGTLPBBIPOATRNFRRAACTHPAU NPPUAMCMBKCFXX(/10x,NUMBER OF ITERATIONS =,i4/10x,LOCALISATION VALUE =,f14.9,/)(3x,NUMBER OF CENTERS,14x,(COMPOSITION OF ORBITALS)//)(f10.4,4(5(3x,a2,i3,f6.2),/10x))(//20x, LOCALIZED ORBITALS ,//)Op????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????( ---LOCMIN/5x,LEFT ...,2f19.6/5x,CENTER ...,2f19.6/5x,RIGHT ...,2f19.6/ )(5x,LEFT ...,2f19.6/5x,CENTER ...,2f19.6/5x,RIGHT ...,2f19.6/5x,NEW ...,2f19.6/ ),.Ah( T,i1, = ,f11.7, ,f11.7, ,f11.7)dH x y zS PxPyPzx2xzz2yzxz(//,2x, Root No.,i5,9i8)(/12x,10(i3,1x,a4))(/10x,10f8.1)(/10x,10f8.3)( )( ,2(1x,a2),i3,f8.4,10f8.4) ''. SPXPYPZX2XZZ2YZXY(////,3x, ROOT NO.,i5,9i12)(/8x,10f12.5)( )(2(1x,a2),i4,f10.5,10f12.5)(1) !== SINGLET DOUBLET TRIPLET QUARTET QUINTET SEXTET SEPTET (/,5x,EIGENVALUES AFTER REMOVAL OF INTER-ELECTRONIC INTERACTIONS,/)(10x,COMPONENT OF SPIN = ,f4.1)(//10x, NO OF CONFIGURATIONS CONSIDERED = ,i4)(///, STATE ENERGIES , EXPECTATION VALUE OF S**2 S FROM S**2=S(S+1),//)(i5,f12.6,3x,a8,f15.5,f10.5)5 66@6K6K6K6K6S6l6l6u6666666666b'7L77778&888K8_888888'9f9t9989 6.:X:,F(//, ATOMS,i3, AND,i3, ARE SEPARATED BY,f8.4, ANGSTROMS.,/ TO CONTINUE CALCULATION SPECIFY "GEO-OK")( NUMBER OF REAL ATOMS:,i4,/, NUMBER OF ORBITALS: ,i4,/, NUMBER OF D ORBITALS:,i4,/, TOTAL NO. OF ATOMS: ,i4)( ONE-ELECTRON DIAGONAL TERMS,/,10(/,10f8.3))( INITIAL P FOR ALL ATOMIC ORBITALS,/,10(/,10f8.3))rs"ssDtittt@uauuu8vXvvwt-w@uu8vNwwwwww#xWxwwwxwwwxx(yhҭv 4<< ( RESTART FILE WRITTEN, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g14.7)( CYCLE:,i5, TIME:,f6.1, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g14.7)(0TEST ON X SATISFIED, NUMBER OF FUNCTION CALLS = ,i5)(0TEST ON SSQ SATISFIED, NUMBER OF FUNCTION CALLS = ,i5)( ,5x,ATTEMPT TO GO DOWNHILL IS UNSUCCESSFUL AFTER,i5,5x,ORTHOGONAL SEARCHES)H W, h?    #, - ( ARCHIVE FILE FOR PATH CALCULATION/A PROFIL OF COORDINATES - HEATS/)+Sf      ANGSTROMS DEGREES DEGREES Sp? (1,20(*), TDHF POLARIZABILITIES ,20(*),//)(/ ROTATION MATRIX FOR ORIENTATION OF MOLECULE:/)(5x,3f12.6)(/ NEW TRANSLATION VECTOR:/, ,3(3f15.5))(// ENERGY OF "REORIENTED" SYSTEM WITHOUT FIELD:,f20.10)(// NFREQ=,i3, IWFLB=,i3, IBET=,i3, IGAM=,i3)( ATOL=,d12.5, BTOL=,d12.5, MAXITU=,i5, MAXITA=i5)(//, ,65(*),/, CALCULATION OF STATIC FIELD QUANTITIES,/, ,65(*))(//, ,70(*),/ CALCULATION FOR A FREQUENCY OF ,f10.5, EV =,f14.5, A.U. /18x,WAVELENGTH OF ,f10.2, NM =,f14.5, CM(-1),/, ,70(*))   Dg ( c   +XYZ(/, +++++ ALPHA AT ,1f13.5, EV.)(/ CONVERGED IN,i4, ITERATIONS IN,f10.2, SECONDS,/ DENSITY CONVERG. TO ,1pd12.5,/ ALPHA CONVERG. TO ,1pd12.5,/)( ALPHA(,a1,,,a1,) = ,1pd14.7)( ALPHA(,a1,,,a1,) = ,1pd14.7)(/, ISOTROPIC AVERAGE ALPHA = ,1f13.5, A.U.)XYZ(/, +++++ BETA (STATIC) AT ,1f15.5, EV./)(/, +++++ BETA (ELECTROOPTIC POCKELS EFFECT) AT ,1f15.5, EV./)(/, +++++ BETA (OPTICAL RECTIFICATION) AT ,1f15.5, EV./)(/ CONVERGED IN,i4, ITERATIONS IN,f10.2, SECONDS)( MAXIMUM UAB ELEMENT =,1f15.5,, MAXIMUM DIFFERENCE =,1f15.5,/)( BETA(,a1,,,a1,,a1,) = ,1f15.5)(//, AVERAGE BETAX VALUE AT ,f10.5, EV = ,1f15.5)( AVERAGE BETAY VALUE AT ,f10.5, EV = ,1f15.5)( AVERAGE BETAZ VALUE AT ,f10.5, EV = ,1f15.5)(//, AVERAGE BETA VALUE AT ,f10.5, EV = ,1f15.5,//)7tUXYZ(/, +++++ BETA (STATIC) AT ,1f15.5, EV./)(/, +++++ BETA, (SECOND HARMONIC GENERATION) AT ,1f13.5, EV./)(/ CONVERGED IN,i4, ITERATIONS IN,f10.2, SECONDS)( MAXIMUM UAB ELEMENT =,1f15.5,, MAXIMUM DIFFERENCE =,1f15.5,/)( BETA(,a1,,,a1,,a1,) = ,1f15.5)(//, AVERAGE BETAX(SHG) VALUE AT,f10.5, EV = ,1f11.5)( AVERAGE BETAY(SHG) VALUE AT,f10.5, EV = ,1f11.5)( AVERAGE BETAZ(SHG) VALUE AT,f10.5, EV = ,1f11.5)(//, AVERAGE BETA (SHG) VALUE AT,f10.5, EV = ,1f11.5,//)cH(1x,*** ERROR ***, ATTEMPT TO READ A DAF RECORD, THAT WAS NEVER WRITTEN. NREC,LEN=,i5,i10)(1x,DAWRIT HAS REQUESTED A RECORD WITH LENGTH,1x,DIFFERENT THAN BEFORE - ABORT FORCED./1x,DAF RECORD ,i5, NEW LENGTH =,i5, OLD LENGTH =,i5)0XYZ(//, GAMMA (THIRD HARMONIC GENERATION) AT ,f10.5, EV.//)( GAMMA(,a1,,,a1,,,a1,,,a1,) = ,1f13.5)(//, AVERAGE GAMMA VALUE AT ,f10.5, = 1f13.5,//)-XYZ (//, GAMMA (DC-EFISHG) AT ,f10.5, EV.//)( GAMMA(,a1,,,a1,,,a1,,,a1,) = ,1pd14.7)(//, AVERAGE GAMMA VALUE AT ,f10.5, EV = ,1pd14.7,//):XYZ (//, GAMMA (IDRI) AT ,f10.5, EV.//)( GAMMA(,a1,,,a1,,,a1,,,a1,) = ,1pd14.7)(//, AVERAGE GAMMA VALUE AT f10.5, = ,1pd14.7,//)GXYZ (//, GAMMA (IDRI) AT ,f10.5, EV.//)(//, GAMMA (OKE) AT ,f10.5, EV.//)( GAMMA(,a1,,,a1,,,a1,,,a1,) = ,1pd14.7)(//, AVERAGE GAMMA VALUE AT f10.5, = ,1pd14.7,//) E x (//, BETA (SECOND HARMONIC GENERATION)//)(//, BXXX ,d15.8, BYXX ,d15.8, BZXX ,d15.8,/, BXXY ,d15.8, BYXY ,d15.8, BZXY ,d15.8,/, BXXZ ,d15.8, BYXZ ,d15.8, BZXZ ,d15.8,/, BXYX ,d15.8, BYYX ,d15.8, BZYX ,d15.8,/, BXYY ,d15.8, BYYY ,d15.8, BZYY ,d15.8,/, BXYZ ,d15.8, BYYZ ,d15.8, BZYZ ,d15.8,/, BXZX ,d15.8, BYZX ,d15.8, BZZX ,d15.8,/, BXZY ,d15.8, BYZY ,d15.8, BZZY ,d15.8,/, BXZZ ,d15.8, BYZZ ,d15.8, BZZZ ,d15.8)(//, AVERAGE BETAX(SHG) VALUE AT,f10.5,EV = ,1f15.5)( AVERAGE BETAY(SHG) VALUE AT,f10.5,EV = ,1f15.5)( AVERAGE BETAZ(SHG) VALUE AT,f10.5,EV = ,1f15.5,//)(//, AVERAGE BETA (SHG) VALUE AT,f10.5,EV = ,1f15.5,//)!,!"3#i##(//, BXXX ,d15.8, BYXX ,d15.8, BZXX ,d15.8,/, BXXY ,d15.8, BYXY ,d15.8, BZXY ,d15.8,/, BXXZ ,d15.8, BYXZ ,d15.8, BZXZ ,d15.8,/, BXYX ,d15.8, BYYX ,d15.8, BZYX ,d15.8,/, BXYY ,d15.8, BYYY ,d15.8, BZYY ,d15.8,/, BXYZ ,d15.8, BYYZ ,d15.8, BZYZ ,d15.8,/, BXZX ,d15.8, BYZX ,d15.8, BZZX ,d15.8,/, BXZY ,d15.8, BYZY ,d15.8, BZZY ,d15.8,/, BXZZ ,d15.8, BYZZ ,d15.8, BZZZ ,d15.8)(//, AVERAGE BETAX VALUE AT,f10.5,EV = ,1f15.5)( AVERAGE BETAY VALUE AT,f10.5,EV = ,1f15.5)( AVERAGE BETAZ VALUE AT,f10.5,EV = ,1f15.5,//)(//, AVERAGE BETA(EOPE) VALUE AT,f10.5,EV = ,1f15.5,//)V$$&X&&&(//, BETA (OPTICAL RECTIFICATION) )(//, BXXX ,d15.8, BYXX ,d15.8, BZXX ,d15.8,/, BXXY ,d15.8, BYXY ,d15.8, BZXY ,d15.8,/, BXXZ ,d15.8, BYXZ ,d15.8, BZXZ ,d15.8,/, BXYX ,d15.8, BYYX ,d15.8, BZYX ,d15.8,/, BXYY ,d15.8, BYYY ,d15.8, BZYY ,d15.8,/, BXYZ ,d15.8, BYYZ ,d15.8, BZYZ ,d15.8,/, BXZX ,d15.8, BYZX ,d15.8, BZZX ,d15.8,/, BXZY ,d15.8, BYZY ,d15.8, BZZY ,d15.8,/, BXZZ ,d15.8, BYZZ ,d15.8, BZZZ ,d15.8)(//, AVERAGE BETAX VALUE AT ,f10.5,EV = ,1f15.5)( AVERAGE BETAY VALUE AT ,f10.5,EV = ,1f15.5)( AVERAGE BETAZ VALUE AT ,f10.5,EV = ,1f15.5,//)(//, AVERAGE BETA(OR) VALUE AT ,f10.5,EV = ,1f15.5,//)r''f)))*? X-YYY YZ ( RESTART FILE WRITTEN, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g14.7)( CYCLE:,i5, TIME:,f6.1, TIME LEFT:,f9.1, GRAD.:,f10.3, HEAT:,g14.7) hh%hGhhhhhhhi)i2i)iKifiyi,- ,-x- x-hr#]ܥL@BLBADIĆ FFUq@ddd@gϳWfuȴ4=Yu)dt$@@< 8<CIP88V8n{88!Hc888R7d8%Pv#(/////10x,a,4(/10x,a))  99@??(\5;@(\5+@(\5@(\5 @(\5???i_?[?lscz²b+hZb?z0ÿ,D?v?0ҋ?p!?@@@$@@ @@"@"@toH?=tZw?mV}"?Hp#e?&ǝ?g?;s ?<8?,0??@j k k k +k Sk k k k k k v v (/, CAUTION !!! SUM IN SWAP VERY SMALL, SUMMAX =,f10.5, JFILL=,i3)<<( NOT A VALID LINE. ONLY HAS ONE ENTRY)(x,a10,i7,8i7)(x,a10,i7,8f7.3)( THE SYMMETRY FUNCTION MUST BE INTEGER)( NO AXIS INFORMATION WAS ENTERED FOR FUNCTION,i2)( YOU MUST HAVE ALL INTEGER INPUT WHEN NOT, USING XYZ INPUT)( ATOM NUMBER,i3, IS OUT OF RANGE)( A C-10 AXIS IS THE HIGHEST THAT CAN BE SPECIFIED)( YOUR VECTOR AXIS MUST HAVE A NON-ZERO LENGTH )( THIS FUNCTION IS IDENTICAL TO AN EARLIER ONE)( ONE ATOM MAPS ONTO TWO DIFFERENT ATOMIC C,ENTERS)( ONE ATOM MAPS ONTO NO OTHER ATOM )(/,10x,| ,3f10.6, |)(i5, = | ,3f10.6, |)(10x,| ,3f10.6, |,/)`  Ҏ <<<<=F====>J>>>>>Ҏ ( FREQ.,/, NO. FREQ. CHARACTER TABLE )(i4,f9.3,3x,7f9.4)t@ @@(/, ENTERING THE SYMMETRY GENERATING ROUTINE ,/, NUMBER SYMM. OPER. * , NUMBER SYMM. OPER. = , NUMBER SYMM. OPER.)(8x,i3,6x,a5,4x,*,8x,i3,6x,a5,4x,=,8x,i3,6x,a5)( |,3f7.3, | |,3f7.3, | |,3f7.3, |)( |,3f7.3, | * |,3f7.3, | = |,3f7.3, |)( |,3f7.3, | |,3f7.3, | |,3f7.3, |,/)(/, THERE ARE ,i3, UNIQUE SYMMETRY FUNCTIONS.,/)(/,20x,THE PERMUTATION MATRIX)(/,/,5x,OPER. NO. ,12i5)(5x,SYMM. OPER. ,12a5)(5x,ATOM NO.)(i10,5x,12i5)AAAA+B]BBBBBB, (f?????( ILLEGAL SYMA - ARGUMENTS: NUM1 = ,i10, NUM2 = ,i10)D( ILLEGAL SYMA - ARGUMENTS: NUM1 = ,i10, NUM2 = ,i10)jD?MraB3GMraB3G?(?| w-? PERT!@{Gz?Qi.R~=L*\blkz=<.cM2=x\r=7=.M=hy\=+\EzUHM{z\\ +N{!M|\ kO{-=/\5zMR##:.    <C1 A CS A' NA" CI AG @{'AU C2 A ǧ B C3 A /p1E C4 A M,?ǧ 9BB E C5 A nN:O{Q|SE1 3443E2 4334C6 A ϰ] /ǧ p1]cB E1 E2 C7 A lyn[pq s>tE1 GHIIHGE2 HIGGIHE3 IGHHGIC8 A Q5|M,?ǧ 9BBO]B E1 QSSQE2 E3 SQQSD2 A ǧ Ƨ ŧ B1 B2 B3 D3 A1 p/ A2 E D4 A1 ,?ǧ ) < A2 B1 B2 E D5 A1 nNOU A2 E1 34E2 43D6 A1 3]p/ǧ A2 B1 B2 E1 E2 C2V A1 4ǧ NNA2 B1 B2 C3V A1 p/QOA2 E C4V A1 4,?ǧ NOA2 B1 B2 E C5V A1 nNOPA2 E1 34E2 43C6V A1 3]p/ǧ QOROA2 B1 B2 E1 E2 C2H AG Lǧ {'NBG AU BU C3H A' /p1N /5E' A" E" C4H AG L!M,?ǧ 9B{'BNB?BG EG AU BU EU C5H A' nN:O{Q|SNGNsoWTQ|ZE1' 34433443E2' 43344334A" E1" 3443geegE2" 4334eggeC6H AG Dϰ] /ǧ p1]c{'N5YcÉ]G/BG E1G E2G AU BU E1U E2U D2H AG ǧ Ƨ ŧ {'NNNB1G B2G B3G AU B1U B2U B3U D3H A1' p/ Np/QOA2' E' A1" A2" E" D4H A1G !,?ǧ ) < {'?NNOA2G B1G B2G EG A1U A2U B1U B2U EU D5H A1' nNOU NGNWUQPA2' E1' 3434E2' 4343A1" A2" E1" 34geE2" 43egD6H A1G D3]p/ǧ {'N']~/ROQOA2G B1G B2G E1G E2G A1U A2U B1U B2U E1U E2U D2D A1 4 ?ǧ < NA2 B1 B2 E D3D A1G @p/ {'']QOA2G EG A1U A2U EU D4D A1 4|,?ǧ O A2 B1 B2 E1 QSE2 E3 SQD5D A1G RnNOV {')rPA2G E1G 3443E2G 4334A1U A2U E1U 34egE2U 43geD6D A1 $3]?p/12ǧ }P̩ A2 B1 B2 E1 y}E2 E3 E4 E5 }yS4 A  B?ǧ BB E S6 AG @ /p1{'LcÉ]EG AU EU S8 A D|M,?ǧ (9B6B E1 QSSQE2 E3 SQQSTD A1 / 6?}PA2 E T1 T2 OH A1G a/ A.? {'6?]PO}PA2G EG T1G T2G A1U A2U EU T1U T2U IH AG BrNOx/> {'[/]TT1G eggeT2G geegGG HG AU T1U eg34T2U ge43GU HU C*V SI 4M,?PI DE D*H SIG M,?{'PIG DEG SIU PIU DEU ?????DT! @MbP?uXz @Wz??ư>n! @$bJ$?g:G<7B(10x,THIS THERMODYNAMICS CALCULATION IS LIMITED TO,/10x,MOLECULES WHICH HAVE NO INTERNAL ROTATIONS//) ! ( , I j |d   A   D    |+ + 8@N@@N@(10x,COMPUTATION TIME = ,i2,1x,DAYS,2x,i2,1x,HOURS,1x,i2,1x,MINUTES AND,1x,f7.3,1x,SECONDS)(10x,COMPUTATION TIME = ,i2,1x,DAY,2x,i2,1x,HOURS,1x,i2,1x,MINUTES AND,1x,f7.3,1x,SECONDS)(10x,COMPUTATION TIME = i2,1x,HOURS,1x,i2,1x,MINUTES AND,1x,f7.3,1x,SECONDS)(10x,COMPUTATION TIME = ,i2,1x,MINUTES AND,1x,f7.3,1x,SECONDS)(10x,COMPUTATION TIME = ,f7.3,1x,SECONDS)ff[ggg(5x,i4,4x,f11.6,6x,f11.6)(2f12.6).  / hh9/ (4f12.6,2x,i4,2x,HOMOs,LUMOs,# of occupied MOs)2 2 i'2 ?2 9/ 5  SPXPYPZX2XZZ2YZXY(0/13x,10(1x,a2,1x,a2,i3,2x))( ,21a6)(1)( ,a2,1x,a2,i5,10f11.6)ijjijjj@,@?BOND ANGLE DIHEDRAL ALPHA0123456789 1SCF WAS SPECIFIED, SO BFGS WAS NOT USED GRADIENTS WERE INITIALLY ACCEPTABLY SMALL HERBERTS TEST WAS SATISFIED IN BFGS THE LINE MINIMIZATION FAILED TWICE IN A ROW. TAKE CARE! BFGS FAILED DUE TO COUNTS EXCEEDED. TAKE CARE! PETERS TEST WAS SATISFIED IN BFGS OPTIMIZATION THIS MESSAGE SHOULD NEVER APPEAR, CONSULT A PROGRAMMER!! GRADIENT TEST NOT PASSED, BUT FURTHER WORK NOT JUSTIFIED A FAILURE HAS OCCURRED, TREAT RESULTS WITH CAUTION!! GEOMETRY OPTIMIZED USING NLLSQ. GRADIENT NORM MINIMIZED GEOMETRY OPTIMIZED USING POWSQ. GRADIENT NORM MINIMIZED CYCLES EXCEEDED, GRADIENT NOT FULLY MINIMIZED IN NLLSQ 1SCF RUN AFTER RESTART. GEOMETRY MIGHT NOT BE OPTIMIZED HEAT OF FORMATION MINIMIZED IN ONE LINE SEARCH GEOMETRY OPTIMISED USING EIGENVECTOR FOLLOWING (EF). EF-OPTIMIZED GEOMETRY. NUMBER OF -VE ROOTS INCORRECT SCF FIELD WAS ACHIEVED ++++----**** FAILED TO ACHIEVE SCF. ****----++++ (//,1x,17(a2,a1,a1))@ @ @ @  A !A +A A NB B B B B .C dC iC C C C 'D aD D D D E =E B iE E E F (///1x,THERE ARE,i12, NONZERO INTEGRALS./)(1,//1x,AO INTEGRALS IN NEW ORDER./)(//1x,THE AO INTEGRALS ARE STORED IN A MATRIX WITH,i4, ROWS AND COLUMNS.)(1x,THERE ARE,i4, RECORDS EACH OF WHICH CONTAINS,i4/2x COLUMNS AND,i6, INTEGRALS.)(//1x,INTEGRALS IN THE FIRST RECORD./)(1x,10f7.3)mȪ(//5x,number of nonzero integrals =,i10,5x,Total number of MO =,i4)(//35x, Orbital energy )(/5x,10i7)(//5x,10f7.3)(//5x, Higher occupied MO is ,i4, MO )(///5x,TOTAL NUMBER OF OCCUPIED ORBITALS INVOLVED IN THE/5x, OVGF CALCULATION =,i3/5x,TOTAL NUMBER OF UNOCCUPIED ,ORBITALS INVOLVED IN THE/5x, OVGF CALCULATION =,i3/5x,THE NUMBER OF FIRST OCCUPIED MO FOR WHICH OVGF CORRECTION /5x,MUST BE STARTED =,i3/5x,THE NUMBER OF LAST OCCUPIED MO FOR WHICH OVGF CORRECTION /5x,MUST BE FINISHED =,i3/5x,TOLERANCE FACTOR = ,f12.8/5x,SECOND-ORDER CONTRIBUTION = ,i3/5x,THIRD-ORDER CONTRIBUTION = ,i3/5x,FULL EXPRESSION = ,i3/5x,PRINT FACTOR = ,i3/5x,ONLY SECOND-ORDER CONTRIBUTION = ,i3)(/5x,EP =,f18.8)(/5x, W1 = ,f12.8,5x, IR = ,i5)(/5x,NUMH =,i4,5x,NUMV =,i4)(/5x, SU2R=0 ON 0 STEP )(/5x, SU2R =0 ON ,i5, STEP )(/5x,SUM1=0 ON 0 STEP )(/5x, SUM2 = 0 ON 0 STEP )(/5x,SUM1=0 ON,i5, STEP )(/5x, SUM2 = 0 ON,i5, STEP )(/5x,SUM1 B 3 =0 ON 0 STEP )(/5x, SUM2 B 3 = 0 ON 0 STEP )(/5x, SZAM 0 ON 0 STEP )(/5x,SUM1=0 ON,i5, STEP )(/5x, SUM2 = 0 ON,i5, STEP )(/5x, SZAM 0 ON,i5, STEP )(///5x, RESULTS OF CALCULATION PES )(/1x,LEVEL ,3x, 2 ,2x, IR ,3x, 3 ,2x, IR ,3x, FINAL ,2x, IR ,3x, SCF)(/i3,5x,f7.3,3x,i2,2x,f7.3,3x,i2,2x,f7.3,4x,i2,4x,f7.3)(//5x, IN CALCULATED USED ,i5, HOMO and ,i5, LUMO /5x, ACCURACY SELFCONSISTENT = ,f12.8/5x, FINAL RESULT CALCULATED BY ,i3, METHOD )(//6x,FINAL=0, CALCULATED BY FORMULA W=EP+SUM2+(1+A),**(-1)*SU3R/6x,FINAL=1, CALCULATED BY FORMULA W=EP+SUM2+(1+G1)**-1)/3x,*(CS4+CS5+CS6+DS4+DS5+DS6)+(1+G2)**(-1)*(CS1+CS2+CS3+DS1/3x,+DS2+DS3)+AA/6x,FINAL= -1, CALCULATED BY FORMULA W=EP+SUM2+(1+A)**(-1)*SUM3)(5x,JJ=,i5,5x,II=,i5,5x,LL=,i5)(//5x, CALCULATION RELAXATION EFFECTS ONLY )(/3x,LEVEL,2x,R.effect,3x,ENERGY SCF,5x,ENERGY)(/3x,i3,2x,f10.6,3x,f8.4,8x,f8.4)bǫҫ 8K8Ko8K8ͮ&K8HiƯK0°Vh??@@8@^@@@@@B@D@ ??(/9x,a,f8.2,a)*333333?333333?Q?333333?333333???ffffff???Q?(\?ףp= ?Q???333333?ffffff@ BQ H HE LI BE B C N O F NE NA MG AL SI P S CL AR K CA SC TI V CR MN FE CO NI CU ZN GA GE AS SE BR KR RB SR Y ZR NB MO TC RU RH PD AG CD IN SN SB TE I X CS(/ERROR - TO MANY POINTS GENERATED IN SURFAC)uV V W *:zc%C1<#2IZ9Wڥ2-64OSk%ޟݦ @@?.5ؼ*.5ڼ*.5ܼ*.5޼*Ð   { l X J 6 (   ۷ η ķ t X      , 8 L X d i s x  "X  X  X  X  X  X  Y    . 1 4 : D I L M R U Z d i l m r u z               " ( 2 7 @ L N Zk q        % 4 ` b Z          8 < \ ^ Z{ {         Z % 3 H ` o q Z{   [      L P [ l n [      ( , = ?  \[ h     \  ]  8 P m s   ^      ^     ^ % C O ^o }        T ^ h r |         _     " , . ,_L T |     B_@ B Y`^ ` d h m s }  i`        % x`< > C K U V W \ h j l `     $ ( . 0 `O D   - 4 z             J P W X ! ! 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L758 L762Z L764b L763E L768 L771 L775 L774 L779؞ L784 L782 L786@ L855f L815P L793Ǡ L797 L796 L801 L806L L804( L808p L856 L819 L8189 L823F L828 L826[ L830 L857 L822$ L841֣ L843~ L845 L847ܢ L846k L851 * $,4*<_f.239D_i.240L_j.241P_k.242T5X_ic.244\_fi.245d_pi.246l_np.247t_ts.248|@L_ts1.251_ref.252_res.253_ipr.254_ips.255_jps.256Xb*p*~&*:*N*b*LC61 LC62 LC63 LC64 LC65 LC66 LC67 LC68% LC698 LC70@ LC71H LC72P LC73X LC74` L859 L860x L868 L862֥ L864 L866 L8700 L872 L874d L877 L879 L878 L883, L887 L889 L888 L893@ L8970 L899 L901@ L903~ L905 L907 L910̫ L9128 L913 L917, L911 L922z L924 L925P L929ج L923h L934 L936 L939q L941" L902+ L945 L947ʮ L950 L952F L957ү L961ұ L963 L965u L967ڰ L966c L971 L977 L979Ҳ v*ʘԘޘ _f.275_i.276_j.277_k.278_l.279_ic.281_fi.282 _il.283_in.284_pi.285_np.286$_ts.287,_ir.2884 8,<_ir2.291@_ts1.292D_ts2.293L_idc.294T_idn.295X_ref.296\_fii.297d_res.298l_ipr.299t_ips.300x_jps.301|8B~*P*^*l*zζ**LC75 LC76 LC77Ƴ LC78ʳ LC79ҳ LC80ڳ LC81 LC82 LC83 L985˴ L987x L990 L992 L994 L996 L999D L1000 L1001N L1003 L1005 L1009} L1011l L1013 L1015ܸ L1014r L1019 L1023 L1025 L1026 L1030r L1032 L10338 L1037 L1039S L1040 L1044 L1024 L1049a L1051 L1054 L1056~ L1058 L1060 L1059 L1061 L1065> L1066 L1071 L1069 L1073l L1124 L1083h L1084 L1089 L1087 L1091D L1125w L1082 L1102 L11046 L1106 L1108 L1107 L1112 L1010h L1119 L1121 .text0L \z2 .data$.bssd|".filesXgf2c_mopac.c  *_start.3LC0 LC1 LC2 L4' L8 .text .data*.bss.fileXgmain.c   _size_t _wchar_t __iobuf X__cnt__ptr__base__bufsiz __flag__file.eosfzX_FILE zX_fpos_t  ș  Xә_sa_maskߙ.eos fX _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque X_vq_nextX_vq_prevX.eosfX_.0fake X_quot_rem.eosfX_div_t X_.1fake X_quot_rem.eosfX_ldiv_t XLC0 LC1 LC2 LC3 LC4 LC5 _main $*X.bf e\_argc _argv R L118 L12X .ef e"_sigfdie !*X.bf e0_n .ef e_sigidie !*X.bf e6_n .ef e_sigqdie !*X.bf e<_n .ef e !*X.bf eC_n .ef e_sigtdie !,*X.bf eH_n .ef e !>*X.bf eN_n .ef e.text d"".data*.bss.fileYgi_indx.c  _integer _address  _real  _.0fake Y_r_i.eosfX_complex X_.1fake  Y_r_i.eosfY Y_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake Y_cierr_ciunit_ciend_cifmt _cirec.eosfY_cilist Y_.3fake (Y_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfY_icilist Y_.4fake $7Y_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f*Y$_olist *Y$_.5fake  @Y_cerr_cunit_csta.eos f9Y _cllist 9Y _.6fake HY_aerr_aunit.eosfBY_alist BY_.7fake hhY_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfJYh_inlist JYh wY_g _h _i _r _d _c X_z Y.eosfjY jY_Long _Vardesc Y_name_addr_dims_type .eosfzY_Vardesc zY  Y_name_varsXzY_nvars.eos fY  Y _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f _i_indx %`P*Y.bf e_a _b  _la _lb .bb dYL13L L20 L25m L26M L44 L30: L28L L35Z L33l L40z L38 L45 L43 L21N L49 L50 L48 L54 L55 L53 L597 L60( L58@ .ebN d.efN e.text `8.data*.bss.file[gsue.cX X _integer _address  _real  _.0fake Y_r_i.eosfY_complex Y_.1fake Y_r_i.eosfY Y_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake Y_cierr_ciunit_ciend_cifmt _cirec.eosfY_cilist Y_.3fake Y_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfY_icilist Y_.4fake $Z_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fZ$_olist Z$_.5fake  Z_cerr_cunit_csta.eos fZ _cllist Z _.6fake Z_aerr_aunit.eosfZ_alist Z_.7fake h?Z_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf!Zh_inlist !Zh NZ_g _h _i _r _d _c Y_z Y.eosfAZ AZ_Long _Vardesc YZ_name_addr_dims_type .eosfQZ_Vardesc QZ  cZ_name_varsXQZ_nvars.eos f[Z  [Z _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf Z__cnt__ptr__base__bufsiz __flag__file.eosfxZ_FILE xZ_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque Z_vq_nextZ_vq_prevZ.eosfZ_uiolen _.8fake 0Z_ufdxZ_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0fZ0_unit Z0LC0X LC1` _c_sued $*Z.bfk e _a Y_aYL2 L3 L4 L14b L5 L6 L7 L84 L15? L12L L11` L13X .efb eLC2i LC3t _s_rsue| %*Z.bf e_a Y_aY.bb dZ_nL17 L28^ L19 L27R L29F L22\ L238 L24$ L250 .eb^ d.ef^ eLC4e _s_wsuet %T*Z.bf{ e6_a Y.bb{ dZL37 L36 L39 L41 .eb d .ef e _e_wsue %l*Z.bf eC.bb dZ.ebq d.efq e_e_rsuex %&̰*Z.bf{ eL.ef e.textX HF6.data*.bss.file>\guio.c  _integer _address  _real  _.0fake [_r_i.eosf [_complex  [_.1fake [_r_i.eosf[ [_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake .[_cierr_ciunit_ciend_cifmt _cirec.eosf%[_cilist %[_.3fake :[_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf0[_icilist 0[_.4fake $I[_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f<[$_olist <[$_.5fake  R[_cerr_cunit_csta.eos fK[ _cllist K[ _.6fake Z[_aerr_aunit.eosfT[_alist T[_.7fake hz[_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf\[h_inlist \[h [_g _h _i _r _d _c  [_z [.eosf|[ |[_Long _Vardesc [_name_addr_dims_type .eosf[_Vardesc [  [_name_varsX[_nvars.eos f[  [ _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf [__cnt__ptr__base__bufsiz __flag__file.eosf[_FILE [_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque [_vq_next[_vq_prev[.eosf[_uiolen _.8fake 0[_ufd[_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0f[0_unit [0LC0 _do_us $*[.bf e _number _ptr  _len L11P L12 L13 L14 L10n L15L L168 L17D .efn eLC1w _do_ud %,* \.bf e _number _ptr  _len L30 L31 L32 L29? L33, L34( L35 L36 .ef? e_do_uioL %n*8\.bf[ e@_number _ptr  _len _number_ptr_len.bb[ d6\L40 .bbh d&\_number_ptr_lenL42 L43 L44 L45 L60 L61 L47 L48 .eb dL55 .bb d4\_number_ptr_lenL52d L53P L54\ L51 L57 L58 .eb d.eb d.ef e.text 0A.data*.bss.file]gpow_dd.c  _integer _address  _real  _.0fake M\_r_i.eosfG\_complex G\_.1fake U\_r_i.eosfO\ O\_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake h\_cierr_ciunit_ciend_cifmt _cirec.eosf_\_cilist _\_.3fake t\_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfj\_icilist j\_.4fake $\_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fv\$_olist v\$_.5fake  \_cerr_cunit_csta.eos f\ _cllist \ _.6fake \_aerr_aunit.eosf\_alist \_.7fake h\_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf\h_inlist \h \_g _h _i _r _d _c G\_z O\.eosf\ \_Long _Vardesc \_name_addr_dims_type .eosf\_Vardesc \  \_name_varsX\_nvars.eos f\  \ _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f   \_type_name_arg1_arg2_retval.eos f\ _pow_dd '*\.bf e _ap _bp  .ef e.text .data*.bss.file;^gwsfe.c  _integer _address  _real  _.0fake ]_r_i.eosf ]_complex  ]_.1fake ]_r_i.eosf] ]_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake +]_cierr_ciunit_ciend_cifmt _cirec.eosf"]_cilist "]_.3fake 7]_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf-]_icilist -]_.4fake $F]_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f9]$_olist 9]$_.5fake  O]_cerr_cunit_csta.eos fH] _cllist H] _.6fake W]_aerr_aunit.eosfQ]_alist Q]_.7fake hw]_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfY]h_inlist Y]h ]_g _h _i _r _d _c  ]_z ].eosfy] y]_Long _Vardesc ]_name_addr_dims_type .eosf]_Vardesc ]  ]_name_varsX]_nvars.eos f]  ] _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf ]__cnt__ptr__base__bufsiz __flag__file.eosf]_FILE ]_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque ]_vq_next]_vq_prev].eosf]_uiolen _.8fake 0]_ufd]_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0f]0_unit ]0_syl ]_op_p1_p2_p3 .eosf]_.9fake ]_pf _pd .eosf]_ufloat ]_.10fake ]_is _ic _il .eosf]_Uint ]_x_putc $* ^.bf e _c L9m L11, L128 L10P L14 L16 .ef e_x_wSL $3ڱ*^.bf e.ef e_xw_end $9*^.bf e'L22 .ef e_xw_rev $C(*^.bf e.L26% .efS eLC0S LC1[ _s_wsfeh %F*5^.bfo e9_a "]_a"].bbo d3^_nL28} L36 L30T L31< L32H L33 L35 .eb d.ef e.text J6.data*.bss.file]_gsfe.c  _integer _address  _real  _.0fake J^_r_i.eosfD^_complex D^_.1fake R^_r_i.eosfL^ L^_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake e^_cierr_ciunit_ciend_cifmt _cirec.eosf\^_cilist \^_.3fake q^_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfg^_icilist g^_.4fake $^_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fs^$_olist s^$_.5fake  ^_cerr_cunit_csta.eos f^ _cllist ^ _.6fake ^_aerr_aunit.eosf^_alist ^_.7fake h^_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf^h_inlist ^h ^_g _h _i _r _d _c D^_z L^.eosf^ ^_Long _Vardesc ^_name_addr_dims_type .eosf^_Vardesc ^  ^_name_varsX^_nvars.eos f^  ^ _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf ^__cnt__ptr__base__bufsiz __flag__file.eosf^_FILE ^_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque  __vq_next__vq_prev_.eosf__uiolen _.8fake 0__ufd^_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0f _0_unit  _0_e_rsfe %I**_.bf e.bb d(_L6 L9 L7" .eb. d .ef. e LC05 LC1= _c_sfeD $$*B_.bfL e_a \^.bbL d@_L21| L22h L23t L30 L24 L25 L26 L27 L28 L29 .eb d.ef e_e_wsfe %IT*W_.bf e.bb dU_.bb dS_.bb dQ_L38 L411 L396 .eb@ d.eb@ d.ebB d.efB e.text `.data*.bss.filecgfmt.cL L _integer _address  _real  _.0fake l__r_i.eosff__complex f__.1fake t__r_i.eosfn_ n__logical " 0 : _longint _flag _ftnlen _ftnint _.2fake __cierr_ciunit_ciend_cifmt _cirec.eosf~__cilist ~__.3fake __icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf__icilist __.4fake $__oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f_$_olist _$_.5fake  __cerr_cunit_csta.eos f_ _cllist _ _.6fake __aerr_aunit.eosf__alist __.7fake h__inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf_h_inlist _h __g _h _i _r _d _c f__z n_.eosf_ __Long _Vardesc __name_addr_dims_type .eosf__Vardesc _  __name_varsX__nvars.eos f_  _ _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf `__cnt__ptr__base__bufsiz __flag__file.eosf `_FILE  `_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque +`_vq_next#`_vq_prev#`.eosf#`_uiolen _.8fake 0=`_ufd `_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0f,`0_unit ,`0_syl G`_op_p1_p2_p3 .eosf?`_.9fake M`_pf _pd .eosfG`_ufloat G`_.10fake V`_is _ic _il .eosfO`_Uint O`LC0L _ap_endX bLf*h`.bf^ e_s .bb^ df`L12m L15d L18 L16 .eb d .ef e LC1 _op_gen $l*x`.bf e/_a _b  _c _d .bb dv`L23 .eb% d .ef% e _gt_num, bJ*`.bf8 eA_s _n  .bb8 d`L42< L41V L34\ L38h L39j .ebl d.efl e_f_sx b2*`.bf eV_s _curloc  .bb d`L58 L59 L63$ L61 .bb d`.bb d`L65 .eb d.eb dL72) L690 L68( .eb0 d.ef0 e_ne_d< $n*a.bfH ej_s _p R _s.bbH da_n_x_signL186W L180h L142 L79 L105W L104P L101 L115X L76D L83 L177p L92 L155` L1730 .bbD d`.bbD d`L78v .eb d.eb dL187 .bb d `.bb d`L81 .eb d.eb dL85 L844 .bb d `.bb d`L87 .eb- d.eb- d.bb4 d `.bb4 d`L90f .ebz d.ebz dL94 L93 L95 L97 L96 .bb d`_a.bb d`L100 .eb d.eb d.bb d`.bb d`L1036 .ebJ d.ebJ d.bbX d!a_s.bbZ d a_c_f__cnt_mL189^ L188x L118| L122 L123 .eb d.eb dL139 L136 L127l L132 L128u .bbu d'a_b.bb{ daL130 .eb d.eb d.bb d)(a_b.bb d&aL134 .eb d.eb d.bb d,2a_b.bb d0aL138P .eb d.eb dL74 .bb d5b_s.bb d L309 L31T L35p L36d L34w L38 L42 L40 L41 L61 L62 L43 L59( L538 L45 L51 L50 L84 L96 L55h L56w _replace L63 L64 L65 .bb dmn.bb dn_x;m$L66t .eb7 d.eb7 dL77( L79 L80 L82 L85x L86d L87p L89 L92 L93 L94 .eb d.ef eLC10 LC11 LC12 LC13 _fk_open $о*n.bf e_seq _fmt  _n .bb dn_nbuf2 _am$L103X L104_ L105p L106w .eb d.ef e.text  iU.data*.bss.filepgrsfe.c  _integer _address  _real  _.0fake n_r_i.eosfn_complex n_.1fake n_r_i.eosfn n_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake n_cierr_ciunit_ciend_cifmt _cirec.eosfn_cilist n_.3fake n_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfn_icilist n_.4fake $n_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fn$_olist n$_.5fake  o_cerr_cunit_csta.eos fo _cllist o _.6fake o_aerr_aunit.eosf o_alist  o_.7fake h0o_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfoh_inlist oh ?o_g _h _i _r _d _c n_z n.eosf2o 2o_Long _Vardesc Jo_name_addr_dims_type .eosfBo_Vardesc Bo  To_name_varsXBo_nvars.eos fLo  Lo _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf so__cnt__ptr__base__bufsiz __flag__file.eosfio_FILE io_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque o_vq_nexto_vq_prevo.eosfo_uiolen _.8fake 0o_ufdio_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0fo0_unit o0_syl o_op_p1_p2_p3 .eosfo_.9fake o_pf _pd .eosfo_ufloat o_.10fake o_is _ic _il .eosfo_Uint o_xrd_SL $T*o.bf e.bb doL8 L9 L11 L12 .eb d.ef e_x_getc $B*o.bf e.bb doL23 L24$ L25- L27\ L31D L29s L28 .eb d.ef e_x_endp $Q*o.bf e!.bb do.bb do.bb doL41 L42 L44 L45 .eb d.eb d.eb d.ef e_x_rev $Q*p.bf e&.bb do.bb do.bb doL56' L57 L59 L60 .eb; d.eb; d.eb= d.efA eLC0A LC1I _s_rsfeT %mƿ*p.bf[ e/_a n_an.bb[ dp_nL63i L71 L65, L66 L67  L68 L70 .eb d.ef e.text $B7.data*.bss.filepgs_cmp.c  _integer _address  _real  _.0fake -p_r_i.eosf'p_complex 'p_.1fake 5p_r_i.eosf/p /p_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake Hp_cierr_ciunit_ciend_cifmt _cirec.eosf?p_cilist ?p_.3fake Tp_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfJp_icilist Jp_.4fake $cp_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fVp$_olist Vp$_.5fake  lp_cerr_cunit_csta.eos fep _cllist ep _.6fake tp_aerr_aunit.eosfnp_alist np_.7fake hp_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfvph_inlist vph p_g _h _i _r _d _c 'p_z /p.eosfp p_Long _Vardesc p_name_addr_dims_type .eosfp_Vardesc p  p_name_varsXp_nvars.eos fp  p _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f _s_cmp %h*p.bf e _a0 _b0  _la _lb .bb dpL560 L27 L30 L50 L36B L35 L49 L47D L51  L41( L468 .ebD d#.efD e#.text .data*.bss.fileqgs_cat.cP P _integer _address  _real  _.0fake p_r_i.eosfp_complex p_.1fake q_r_i.eosfp p_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake q_cierr_ciunit_ciend_cifmt _cirec.eosf q_cilist  q_.3fake q_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfq_icilist q_.4fake $.q_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f!q$_olist !q$_.5fake  7q_cerr_cunit_csta.eos f0q _cllist 0q _.6fake ?q_aerr_aunit.eosf9q_alist 9q_.7fake h_q_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfAqh_inlist Aqh nq_g _h _i _r _d _c p_z p.eosfaq aq_Long _Vardesc yq_name_addr_dims_type .eosfqq_Vardesc qq  q_name_varsXqq_nvars.eos f{q  {q _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f _s_catP !k*q.bf_ e_lp _rpp R _rnp _np _ll .bb_ dqL74 L28 L29 L30 L33 L67 L34 L38 L68 L39 L43 L69 L44 L21  L48 L70& L49  L534 L71F L54@ L58T L72f L59` L63t L73 L64 L24 .eb d.ef e.textP l<.data*.bss.filesgclose.c  _integer _address  _real  _.0fake q_r_i.eosfq_complex q_.1fake q_r_i.eosfq q_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake q_cierr_ciunit_ciend_cifmt _cirec.eosfq_cilist q_.3fake q_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfq_icilist q_.4fake $ r_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fq$_olist q$_.5fake  r_cerr_cunit_csta.eos f r _cllist  r _.6fake r_aerr_aunit.eosfr_alist r_.7fake h;r_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfrh_inlist rh Jr_g _h _i _r _d _c q_z q.eosf=r =r_Long _Vardesc Ur_name_addr_dims_type .eosfMr_Vardesc Mr  _r_name_varsXMr_nvars.eos fWr  Wr _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf ~r__cnt__ptr__base__bufsiz __flag__file.eosftr_FILE tr_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque r_vq_nextr_vq_prevr.eosfr_uiolen _.8fake 0r_ufdtr_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0fr0_unit r0_.9fake r_quot_rem.eosfr_div_t r_.10fake r_quot_rem.eosfr_ldiv_t r_f_clos %f*r.bf e_a  r .bb drL42d L24V L25 L270 L33 L40  L34 L30P L43G _Delete0 _doneV .ebf d&.eff e&_xx.4_f_exitp !*r.bfy eH.bby dr_i_xx r L45l L69 .bb d r.bb dr_br0L48[ L52M L53 L55$ L61 L68 L62 L58G _Delete$ _doneM .eb[ d.eb[ d.ebl d .efl e _flush_x $ *s.bf eZ.bb dsL81 L82 L85 L88 L91 L947 .eb_ d.ef_ e.text %2.data*.bss .filesgpow_di.cl l _integer _address  _real  _.0fake s_r_i.eosfs_complex s_.1fake s_r_i.eosfs s_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake 2s_cierr_ciunit_ciend_cifmt _cirec.eosf)s_cilist )s_.3fake >s_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf4s_icilist 4s_.4fake $Ms_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f@s$_olist @s$_.5fake  Vs_cerr_cunit_csta.eos fOs _cllist Os _.6fake ^s_aerr_aunit.eosfXs_alist Xs_.7fake h~s_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf`sh_inlist `sh s_g _h _i _r _d _c s_z s.eosfs s_Long _Vardesc s_name_addr_dims_type .eosfs_Vardesc s  s_name_varsXs_nvars.eos fs  s _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f _pow_dil ':*s.bfu e_ap _bp  .bbu dsL20 L13 L16 L21 .eb d.ef e.textl <.data*.bss.fileWvglread.c  _integer _address  _real  _.0fake s_r_i.eosfs_complex s_.1fake s_r_i.eosfs s_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake s_cierr_ciunit_ciend_cifmt _cirec.eosfs_cilist s_.3fake t_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfs_icilist s_.4fake $t_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$ft$_olist t$_.5fake  t_cerr_cunit_csta.eos ft _cllist t _.6fake  t_aerr_aunit.eosft_alist t_.7fake h@t_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf"th_inlist "th Ot_g _h _i _r _d _c s_z s.eosfBt Bt_Long _Vardesc Zt_name_addr_dims_type .eosfRt_Vardesc Rt  dt_name_varsXRt_nvars.eos f\t  \t _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf t__cnt__ptr__base__bufsiz __flag__file.eosfyt_FILE yt_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque t_vq_nextt_vq_prevt.eosft_uiolen _.8fake 0t_ufdyt_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0ft0_unit t0_syl t_op_p1_p2_p3 .eosft_.9fake t_pf _pd .eosft_ufloat t_.10fake t_is _ic _il .eosft_Uint t_.11fake t_flchar _flshort _flint _flreal ƚ .eosft_flex t_.12fake t_quot_rem.eosft_div_t t_.13fake t_quot_rem.eosft_ldiv_t t_t_getc $e*t.bf eA.bb dtL8 L10 L11 L13  L12 .eb  d.ef  e_e_rsle %x"*u.bf eI.bb duL26$ .bb$ du.bb$ duL33s L31D L32M L28x .ebx d.ebx dL27 .eb d.ef eLC0 LC1 LC2 LC3 _l_R $L*Ku.bf e]" .bb dIu_s244_ch_sp_spe_sp1_e_exp_havenum,_seL37 L38 L36z L39 _retry L1057 L101@ L474 L49q L52N L50\ L51_ L53 L55 L54 L106e L56 L103 L60 L64 L63 L66G L67 L68\ 6G L69S L70p L71e _bade L72t L73 L75 L77 L104 L80 L81 L82 L83 L84, L85x L90I L92` .ebz du.efz euLC4 LC5 LC6 LC7 LC8 LC9 LC10 _l_C $8*|u.bf e.bb dzu_ch@_lzL112 L111 L113H L1144 L155 .bb4 d hu_chL148 L156< L119d .ebv dL115 L121 L120 L157 L158 L129 L125$ L127 L126 L130 L133R L136 L137 L140 L144d L146 .eb d:.ef e:LC11 _l_L $L*u.bf e.bb du_chL160 L161 .bb d u_chL162V L189 L165D .ebV dL166 L168v L167 L190{ L170 L171 L172 L175 L183 L177 L178 L173| L1803 L179H L181p L184 .eb d,.ef e,J*LC12 _l_CHAR $*u.bf eM.bb du_ch_size_i_rafail*2_quote_pL192 L191 L193 L194$ L264 L195 L196N L199h L210l L209W L208H L2000 L258 L203 L232s L259 L260$ U L217 L216 L218 L220  L221 L219x L261@ L262\ L223 L202 L233 L231d _noquote L240 L241 L265s L2428 L243 _newone L246D L248\ L253 .eb dx.ef exLC13 LC14 LC15 _c_le $*u.bf e_a sL277 L278 L279 L286 L280d L281P L282\ L283 L284 L285 .ef e LC16 _l_read $ *.v.bf e_number _ptr  _len _type _ptr.bb d,v_i_n_chL289 L358 L361 L292 L364 L336 L308* L296 L307 L3094 L301 L306 L305 _rddata* L328 L3268 L315h L318t L322| L324 L362 L287 L332 _loopend L333 L334@ L335 L337  L341l L354` L346 L348 L349 L350 L351 L3520 L353X L344 _bumpl L356{ L290 .eb dy.ef eyLC17 _s_rsle %l*Qv.bf eZ_a s_as.bb dOv_nL366 .bb dKv_asL369 L370 L371 L381h L372 L373d L374s L375 L376 L377 .eb dL378H L380> .ebh d.efh e.text Q.data*.bss.filewgpow_ii.cp p _integer _address  _real  _.0fake fv_r_i.eosf`v_complex `v_.1fake nv_r_i.eosfhv hv_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake v_cierr_ciunit_ciend_cifmt _cirec.eosfxv_cilist xv_.3fake v_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfv_icilist v_.4fake $v_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fv$_olist v$_.5fake  v_cerr_cunit_csta.eos fv _cllist v _.6fake v_aerr_aunit.eosfv_alist v_.7fake hv_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfvh_inlist vh v_g _h _i _r _d _c `v_z hv.eosfv v_Long _Vardesc v_name_addr_dims_type .eosfv_Vardesc v  v_name_varsXv_nvars.eos fv  v _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f _pow_iip %a*w.bfz e_ap _bp  .bbz dwL15 L17 L16 L27 L18 L19 L22 L21 L24 .eb d.ef e.textp d.data*.bss.filewgd_int.c  _integer _address  _real  _.0fake -w_r_i.eosf'w_complex 'w_.1fake 5w_r_i.eosf/w /w_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake Hw_cierr_ciunit_ciend_cifmt _cirec.eosf?w_cilist ?w_.3fake Tw_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfJw_icilist Jw_.4fake $cw_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fVw$_olist Vw$_.5fake  lw_cerr_cunit_csta.eos few _cllist ew _.6fake tw_aerr_aunit.eosfnw_alist nw_.7fake hw_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfvwh_inlist vwh w_g _h _i _r _d _c 'w_z /w.eosfw w_Long _Vardesc w_name_addr_dims_type .eosfw_Vardesc w  w_name_varsXw_nvars.eos fw  w _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f   w_type_name_arg1_arg2_retval.eos fw _d_int '?J*w.bf e _x L5 .ef e.text @.data*.bss.filexgi_dnnt.c  _integer _address  _real  _.0fake w_r_i.eosfw_complex w_.1fake w_r_i.eosfw w_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake  x_cierr_ciunit_ciend_cifmt _cirec.eosfx_cilist x_.3fake x_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf x_icilist  x_.4fake $&x_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fx$_olist x$_.5fake  /x_cerr_cunit_csta.eos f(x _cllist (x _.6fake 7x_aerr_aunit.eosf1x_alist 1x_.7fake hWx_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf9xh_inlist 9xh fx_g _h _i _r _d _c w_z w.eosfYx Yx_Long _Vardesc qx_name_addr_dims_type .eosfix_Vardesc ix  {x_name_varsXix_nvars.eos fsx  sx _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f   x_type_name_arg1_arg2_retval.eos fx LC0 _i_dnnt %f\*x.bf& e _x L5L L7a .ef{ e.text p.data*.bss.fileygdue.c  _integer _address  _real  _.0fake x_r_i.eosfx_complex x_.1fake x_r_i.eosfx x_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake x_cierr_ciunit_ciend_cifmt _cirec.eosfx_cilist x_.3fake x_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfx_icilist x_.4fake $x_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fx$_olist x$_.5fake  x_cerr_cunit_csta.eos fx _cllist x _.6fake x_aerr_aunit.eosfx_alist x_.7fake hy_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfxh_inlist xh +y_g _h _i _r _d _c x_z x.eosfy y_Long _Vardesc 6y_name_addr_dims_type .eosf.y_Vardesc .y  @y_name_varsX.y_nvars.eos f8y  8y _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf _y__cnt__ptr__base__bufsiz __flag__file.eosfUy_FILE Uy_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque ty_vq_nextly_vq_prevly.eosfly_uiolen _.8fake 0y_ufdUy_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0fuy0_unit uy0LC0 LC1 LC2 _c_due $pn*y.bf e _a x_axL2 L3 L4 L5 L1 L6H L19 L20 L9 L10p L11| L12 L13 L14 L15 L16 L17 .ef eLC3 _s_rdue %]*y.bf e_a x.bb dyL31j L28h L30` .ebj d.efj eLC4q _s_wdue %]*y.bf e,_a x.bb dyL42 L39 L41 .eb d.ef eLC5 _e_rdue %4*y.bf e5L52h L53P L54_ L55j .efj e_e_wduet %^*y.bf{ e>.bb{ dy.bb{ dyL67 L68 L69 L64 .eb d.eb d.ef e.text C,.data*.bss.filezgi_len.c! ! _integer _address  _real  _.0fake y_r_i.eosfy_complex y_.1fake z_r_i.eosfy y_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake z_cierr_ciunit_ciend_cifmt _cirec.eosf z_cilist  z_.3fake z_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfz_icilist z_.4fake $.z_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f!z$_olist !z$_.5fake  7z_cerr_cunit_csta.eos f0z _cllist 0z _.6fake ?z_aerr_aunit.eosf9z_alist 9z_.7fake h_z_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfAzh_inlist Azh nz_g _h _i _r _d _c y_z y.eosfaz az_Long _Vardesc yz_name_addr_dims_type .eosfqz_Vardesc qz  z_name_varsXqz_nvars.eos f{z  {z _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f _i_len! % v*z.bf ! e_s _n  .ef! e.text!  .data*.bss.filel{ggetenv_.c! ! _integer _address  _real  _.0fake z_r_i.eosfz_complex z_.1fake z_r_i.eosfz z_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake z_cierr_ciunit_ciend_cifmt _cirec.eosfz_cilist z_.3fake z_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfz_icilist z_.4fake $z_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fz$_olist z$_.5fake  z_cerr_cunit_csta.eos fz _cllist z _.6fake z_aerr_aunit.eosfz_alist z_.7fake h{_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfzh_inlist zh ({_g _h _i _r _d _c z_z z.eosf{ {_Long _Vardesc 3{_name_addr_dims_type .eosf+{_Vardesc +{  ={_name_varsX+{_nvars.eos f5{  5{ _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f _getenv_! !*f{.bf! e_fname _value  _flen _vlen .bb! dd{L30! L298! L27D! L43L! L33c! L37T! L52! L41r! L46! .eb! d .ef! e .text! .data*.bss.file/|gd_lg10.c! ! _integer _address  _real  _.0fake {{_r_i.eosfu{_complex u{_.1fake {_r_i.eosf}{ }{_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake {_cierr_ciunit_ciend_cifmt _cirec.eosf{_cilist {_.3fake {_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf{_icilist {_.4fake ${_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f{$_olist {$_.5fake  {_cerr_cunit_csta.eos f{ _cllist { _.6fake {_aerr_aunit.eosf{_alist {_.7fake h{_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf{h_inlist {h {_g _h _i _r _d _c u{_z }{.eosf{ {_Long _Vardesc {_name_addr_dims_type .eosf{_Vardesc {  |_name_varsX{_nvars.eos f{  { _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f   !|_type_name_arg1_arg2_retval.eos f| LC0! _d_lg10! '*)|.bf! e _x .ef! e.text! $.data*.bss.file|gd_nint.c! ! _integer _address  _real  _.0fake >|_r_i.eosf8|_complex 8|_.1fake F|_r_i.eosf@| @|_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake Y|_cierr_ciunit_ciend_cifmt _cirec.eosfP|_cilist P|_.3fake e|_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf[|_icilist [|_.4fake $t|_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fg|$_olist g|$_.5fake  }|_cerr_cunit_csta.eos fv| _cllist v| _.6fake |_aerr_aunit.eosf|_alist |_.7fake h|_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf|h_inlist |h |_g _h _i _r _d _c 8|_z @|.eosf| |_Long _Vardesc |_name_addr_dims_type .eosf|_Vardesc |  |_name_varsX|_nvars.eos f|  | _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f   |_type_name_arg1_arg2_retval.eos f| LC0! _d_nint! 'I*|.bf! e _x L4" .ef!" e.text! T.data*.bss.file~gerr.c$" $" _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t  _size_t _wchar_t _stat $}_st_dev_st_ino_st_mode К_st_uid_st_gid _st_rdev ښ_st_size .eos$f}$_mode_t _integer _address  _real  _.0fake !}_r_i.eosf}_complex }_.1fake )}_r_i.eosf#} #}_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake <}_cierr_ciunit_ciend_cifmt _cirec.eosf3}_cilist 3}_.3fake H}_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf>}_icilist >}_.4fake $W}_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fJ}$_olist J}$_.5fake  `}_cerr_cunit_csta.eos fY} _cllist Y} _.6fake h}_aerr_aunit.eosfb}_alist b}_.7fake h}_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfj}h_inlist j}h }_g _h _i _r _d _c }_z #}.eosf} }_Long _Vardesc }_name_addr_dims_type .eosf}_Vardesc }  }_name_varsX}_nvars.eos f}  } _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f __iobuf }__cnt__ptr__base__bufsiz __flag__file.eosf}_FILE }_fpos_t _vaxque }_vq_next}_vq_prev}.eosf}_uiolen _.8fake 0}_ufd}_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0f}0_unit }0_syl }_op_p1_p2_p3 .eosf}_.9fake }_pf _pd .eosf}_ufloat }_.10fake }_is _ic _il .eosf}_Uint }LC0$ LC1n$ LC2U$ LC3:$ LC4$$ LC5 $ LC6# LC7# LC8# LC9# LC10# LC11# LC12x# LC13f# LC14L# LC154# LC16"# LC17# LC18" LC19" LC20" LC21" LC22" LC23" LC24l" LC25\" LC26K" LC279" LC28$" b$ $o**1~.bf$ eU_f }.bb$ d/~_x}$L16$ L28$ L26$ L21$ L18$ L27$ .eb$ d0.ef$ e0LC29% LC30 % LC311% LC329% LC33R% LC34\% LC35g% LC36% LC37% LC38% LC39% LC40% LC41% LC42% LC43% LC44% LC45% LC46% n% !b`*Z~.bf& e_n _s  _n_sL30& L31_& L32(& L49R& L34D& L36& L37& L39& L40& L41& L43' L45#' L477' .efS' e_f_init\' !*~.bfc' e.bbc' d~_p}0.bb|' dr~.bb|' dp~_x}$L53' L60' L63' L58' L55' L51' .eb' d.eb' d.bb( d~.bb( d~_x}$L66( L73( L76P( L71p( L68^( L64( .eb( d.eb( d.bb( d~.bb( d~_x}$L790) L86() L89( L84 ) L81( L772) .eb2) d.eb2) d.ebC) d.efC) exL) $fJ*~.bfU) e_x }0.bbU) d~L96) L97) ) L94) .eb) d.ef) e) $*~.bf) e_x }0.bb) d~L111T* L112) L114s* L116N* L117 * L120+* L115h* T* L119|* .eb|* d-.ef|* e-_err__fl* $<*~.bf* e _f _m  _s L125* L126* .ef* e.text$" ZS.data*x.bss.filegsig_die.c* *  _size_t _wchar_t __iobuf ~__cnt__ptr__base__bufsiz __flag__file.eosf~_FILE ~_fpos_t  ș  ~ә_sa_maskߙ.eos f~ _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque ~_vq_next~_vq_prev~.eosf~_.0fake _quot_rem.eosf~_div_t ~_.1fake  _quot_rem.eosf_ldiv_t LC0* _sig_die* !P*.bf* e_s _kill  L5+ .ef+ e.text* T .data *.bss.filegwrtfmt.c+ + _integer _address  _real  _.0fake *_r_i.eosf$_complex $_.1fake 2_r_i.eosf, ,_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake E_cierr_ciunit_ciend_cifmt _cirec.eosf<_cilist <_.3fake Q_icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosfG_icilist G_.4fake $`_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$fS$_olist S$_.5fake  i_cerr_cunit_csta.eos fb _cllist b _.6fake q_aerr_aunit.eosfk_alist k_.7fake h_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshfsh_inlist sh _g _h _i _r _d _c $_z ,.eosf _Long _Vardesc _name_addr_dims_type .eosf_Vardesc   _name_varsX_nvars.eos f   _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf __cnt__ptr__base__bufsiz __flag__file.eosf_FILE _fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque _vq_next_vq_prev.eosf_uiolen _.8fake 0_ufd_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0f0_unit 0_syl _op_p1_p2_p3 .eosf_.9fake  _pf _pd .eosf_ufloat _.10fake _is _ic _il .eosf _Uint  LC0+ LC1!+ LC2(+ _mv_cur,+ $X*B.bf0+ eL2, L3+ L4_+ L46. L62. L48$. L10+ L63). L13, L64. L17+ L19p, L23N, L25- L26, L30, L32- L34 - L35- L330- L36M- L40x- L43- L44- L42- L45- L47<. L490. L57. L50X. L51. L52. L54. L55. L56. .ef. eL_one.4 *_hex.5$*_wrt_Z. $*k.bf. eb_n  _w  _minlen _len _minlen_len.bb. di_s_se_i_w1_one *_hex$*2L66/ L68/ L69,/ L73B/ L74/ L790 L78/ L99/ L100/ L1170 L830 L118(0 L860 L89P0 L88L0 .eb0 d0.ef0 e0_wrt_IM0 $*.bf0 e_n  _w  _m _len _base _n _w_len.bb0 d_ndigit_sign_spare_i_xsign_x_ansL1440 L1450 L1460 L1490 L1480 L1500 L1521 L1511 L17693 L156V1 L222?1 L22311 L157<2 L1611 L2031 L2041 L162L2 L239Q2 L1652 L1672 L1842 L185~2 L1682 L2402 L1692 L241 3 L1743 L1783 .eb;3 d.ef;3 e_wrt_LH3 $^*.bfW3 e_n  _len  _sz .bbW3 dL269`3 L298o3 L271l3 L2743 L2763 L2813 L2823 L2774 L299 4 .eb4 d .ef4 e LC34 LC484 LC5@4 _w_edH4 $p*r.bfW4 e8_p _ptr  _len _p_ptr.bbW4 dpL330t4 L329; L3325 L4364 L333'5 L3586 L433t; L4129 L4149 L3858 L3979 L4029 L3596 L3848 L434; L435; .bb'5 d_n _w_len.bb-5 d_ans_x_i_spare_sign_ndigitL33585 L336G5 L337D5 L340r5 L339s5 L3416 L5639 L3455 L5405 L5415 L3486 L350^6 L521K6 L522=6 L3516 L5576 L3526 L3576 .eb6 d.eb6 dL5668 .bb6 d!_n _w_len.bb6 d_ans_x_i_spare_sign_ndigitL3616 L362 7 L3637 L36667 L36577 L3677 L3717 L501|7 L502n7 L374]8 L376"8 L4828 L4838 L377h8 L559s8 L378}8 L3838 .eb8 d.eb8 d.bb8 d8_n _len_sz.bb8 d6_x_iL3878 L5608 L3898 L392k9 L39409 L4629 L4639 L395x9 L561z9 .eb9 d.eb9 d.bb9 d?_p_lenL4019 .eb9 d.bb9 dI_p_w_lenL5629 L4069 L4099 .eb9 dL567k; .bb9 dn_p_w_d_e_len.bb: dl_j_n_i_x _upL416: L417: L418/: L565L; L421i: L423^; L432X: L424<; _have_ii: L426: L427: L429-; L431: L440: L441: L564N; .ebq; d.ebq; d.eb; d&.ef; e&LC6; _w_ned; $Wx*.bf; ec_p _p.bb; dL570 < L594; L576< L571C< L577< L588< L573d< L572P< L595"= L592= .bb< d_s.bb< d_quoteL579< L582< L587< L599< .eb< d.eb< d.bb< d_a_sL600= L589"= L593= .eb"= d.eb"= d.ef"= e.text+ .data *.bss.fileˁgcabs.c,= ,=   _type_name_arg1_arg2_retval.eos f _f__cabs,= 'V*Ł.bf5= e _real _imag .bb5= dÁL7F= L8Q= L9\= L12|= .eb~= d.ef= e.text,= X .data8*.bss.file)gendfile.c= = _integer _address  _real  _.0fake ځ_r_i.eosfԁ_complex ԁ_.1fake _r_i.eosf܁ ܁_logical " 0 : _longint _flag _ftnlen _ftnint _.2fake _cierr_ciunit_ciend_cifmt _cirec.eosf_cilist _.3fake _icierr_iciunit_iciend_icifmt _icirlen_icirnum.eosf_icilist _.4fake $_oerr_ounit_ofnm_ofnmlen _osta_oacc_ofm_orl_oblnk .eos$f$_olist $_.5fake  _cerr_cunit_csta.eos f _cllist  _.6fake !_aerr_aunit.eosf_alist _.7fake hA_inerr_inunit_infile_infilen _inex_inopen_innum_innamed_inname D$_inacc(N,_inseq0X4_indir8b<_infmt@lD_informHvL_inunfPT_inreclX_innrec\_inblank`d.eoshf#h_inlist #h P_g _h _i _r _d _c ԁ_z ܁.eosfC C_Long _Vardesc [_name_addr_dims_type .eosfS_Vardesc S  e_name_varsXS_nvars.eos f]  ] _U_fp _J_fp _I_fp _R_fp _D_fp _E_fp _C_fp _Z_fp _L_fp _K_fp _H_fp _S_fp _C_f _H_f _Z_f _E_f  _size_t _wchar_t __iobuf __cnt__ptr__base__bufsiz __flag__file.eosfz_FILE z_fpos_t _pid_t _time_t _u_char _u_int _u_long _u_short _off_t _caddr_t _ino_t _dev_t _vaxque _vq_next_vq_prev.eosf_uiolen _.8fake 0_ufdz_ufnm_uinode_udev _url_useek_ufmt_uprnt_ublnk _uend$_uwrt(_uscrtch,.eos0f0_unit 0_.9fake _quot_rem.eosf_div_t _.10fake _quot_rem.eosf_ldiv_t LC0= LC1= _f_end= %2*؂.bf= e%_a .bb= dւL9= L10= L11= L8> L12= .bb= dԂ_nbuf2 L13> L14> .eb= d.eb> d.ef> eLC2%> _t_runc4> $z*#.bf@> er_a .bb@> d!_nm2 _loc_len_b0_bfz_rcL56DA L30? L31> L33A .bb\ L114L\ L115W\ L116t\ L117\ L119\ L120\ L121\ L176\ L125\ L128\ L1613] L169] L135] L138 ] L129*] L142<] L141=] L143X] L170P] L146D] L158] L171l] L150`] L151] L175] L173] L156] L174] L159] .eb] dE.ef] eE.textTX t-.data<*.bss.fileɊgfakeyint<*frac] xltezF^ xltzb^ ygtz]^ errorZ^ yisint{^ yeven^ .text]  .data<*.bss.fileъgfake.text^ $.dataD*.bss.fileيgfake.text^ .dataD*.bss.filegfake.text^  .dataD*.bss.filegfake.text^  .dataD*.bss.filegfake.text^ ,.dataD*.bss.filesglibgcc2.c_ _   _NO_REGS _AREG _DREG _CREG _BREG _AD_REGS _Q_REGS _SIREG _DIREG  * 8 D S _ i .eosfz + _QImode _HImode _PSImode _SImode _PDImode _DImode _TImode _OImode _QFmode _HFmode _TQFmode _SFmode _DFmode _XFmode _TFmode _SCmode _DCmode _XCmode _TCmode _CQImode _CHImode _CSImode _CDImode _CTImode _COImode _BLKmode _CCmode   .eosf  7 ɜ Ӝ ߜ _MODE_CC    .eosf+ _size_t _wchar_t _UQItype _SItype _USItype _DItype _UDItype _SFtype _DFtype _XFtype ' 2 I_low_high.eosfC_.0fake P_s C_ll .eosfI_DIunion I< F_ !#n*[.bf_ eL36_ L5*_ .ef6_ eY<_ !Jt*e.bf@_ eL11e_ L14\_ L9_ L20r_ .ef_ elD*___main_ !z*m.bf_ eL24_ .ef_ e.text_  .dataD*.bss.fileglibgcc2.c_ _  _NO_REGS _AREG _DREG _CREG _BREG _AD_REGS _Q_REGS _SIREG _DIREG  * 8 D S _ i .eosfwz  _QImode _HImode _PSImode _SImode _PDImode _DImode _TImode _OImode _QFmode _HFmode _TQFmode _SFmode _DFmode _XFmode _TFmode _SCmode _DCmode _XCmode _TCmode _CQImode _CHImode _CSImode _CDImode _CTImode _COImode _BLKmode _CCmode   .eosf  ɜ Ӝ ߜ _MODE_CC    .eosf _size_t _wchar_t _UQItype _SItype _USItype _DItype _UDItype _SFtype _DFtype _XFtype ' 2 ˋ_low_high.eosfŋ_.0fake ҋ_s ŋ_ll .eosfˋ_DIunion ˋ< _exit_ !*݋.bf_ e_status _status.ef_ e.text_ .dataH*.bss.fileKglibgcc2.c_ _  _NO_REGS _AREG _DREG _CREG _BREG _AD_REGS _Q_REGS _SIREG _DIREG  * 8 D S _ i .eosfz  _QImode _HImode _PSImode _SImode _PDImode _DImode _TImode _OImode _QFmode _HFmode _TQFmode _SFmode _DFmode _XFmode _TFmode _SCmode _DCmode _XCmode _TCmode _CQImode _CHImode _CSImode _CDImode _CTImode _COImode _BLKmode _CCmode   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