The text file is also avilable here
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HE:3-21G
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LI:3-21G
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BE:3-21G
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C:3-21G
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N:3-21G
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O:3-21G
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F:3-21G
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NA:3-21G
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MG:3-21G
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AL:3-21G
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SI:3-21G
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P:3-21G
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S:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
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CL:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
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BE:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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SOSA4-31G BASIS FROM GAUSSIAN-82
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C:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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N:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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O:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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F:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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NE:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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P:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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S:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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CL:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
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H:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
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HE:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
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LI:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
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BE:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
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H:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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HE:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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LI:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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BE:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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B:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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48.7911132 8.8873622 2.4052670 2.2369561 0.5198205
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C:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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71.6168373 13.0450963 3.5305122 2.9412494 0.6834831
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N:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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O:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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130.7093214 23.8088661 6.4436083 5.0331513 1.1695961
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F:STO-3G
SOSA STO-3G BASIS FROM GAUSSIAN-82
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NE:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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NA:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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250.7724300 45.6785112 12.3623878 12.0401927 2.7978819
0.9099580 1.4787406 0.4125649 0.1614751
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MG:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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299.2374137 54.5064684 14.7515775 15.1218235 3.5139866
1.1428575 1.3954483 0.3893265 0.1523798
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AL:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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351.4214767 64.0118607 17.3241076 18.8993962 4.3918132
1.4283540 1.3954483 0.3893265 0.1523798
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SI:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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1.7529000 1.4787406 0.4125649 0.1614751
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P:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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S:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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CL:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
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H:6-31G**
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SOSA6-31G* BASIS FROM GAUSSIAN-82
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LI:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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BE:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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B:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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C:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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N:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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O:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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F:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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NE:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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NA:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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MG:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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AL:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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SI:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
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SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
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SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
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SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
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B:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2830 -24.526415H
2
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4 2
9 5
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BE:DZ
GDP Dunning & HAY P 23 MOD THEOR CHEM
2
0 1
4 2
9 5
1741.0000000 262.1000000 60.3300000 17.6200000 5.9330000
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C:DZ
GDP Dunning DZ JCP 53,2830 4S2P
2
0 1
4 2
9 5
4232.6098633 634.8820190 146.0970001 42.4973984 14.1892004
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C:DZP
GDP Dunning DZ JCP 53,2830 4S2P
3
0 1 2
4 2 1
9 5 1
4232.6098633 634.8820190 146.0970001 42.4973984 14.1892004
1.9665999 5.1476998 0.4962000 0.1533000
0.0020290 0.0000000 0.0000000 0.0000000
0.0155350 0.0000000 0.0000000 0.0000000
0.0754110 0.0000000 0.0000000 0.0000000
0.2571210 0.0000000 0.0000000 0.0000000
0.5965550 0.0000000 0.0000000 0.0000000
0.2425170 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
18.1557007 3.9863999 1.1429000 0.3594000 0.1146000
0.0185340 0.0000000
0.1154420 0.0000000
0.3862060 0.0000000
0.6400890 0.0000000
0.0000000 1.0000000
0.6540000
1.0000000
F:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2831 -99.395586H 2P
2
0 1
4 2
9 5
9994.7900000 1506.0300000 350.2690000 104.0530000 34.8432000
4.3688000 12.2164000 1.2078000 0.3634000
0.0020170 0.0000000 0.0000000 0.0000000
0.0152950 0.0000000 0.0000000 0.0000000
0.0731100 0.0000000 0.0000000 0.0000000
0.2464200 0.0000000 0.0000000 0.0000000
0.6125930 0.0000000 0.0000000 0.0000000
0.2424890 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.3555000 10.0820000 2.9959000 0.9383000 0.2733000
0.0208680 0.0000000
0.1300920 0.0000000
0.3962190 0.0000000
0.6203680 0.0000000
0.0000000 1.0000000
F:DZP
GDP Dunning DZ + D POL FIT TO JACS 101,2856
3
0 1 2
4 2 1
9 5 1
9994.7900391 1506.0300293 350.2690125 104.0530014 34.8432007
4.3688002 12.2164001 1.2078000 0.3634000
0.0020170 0.0000000 0.0000000 0.0000000
0.0152950 0.0000000 0.0000000 0.0000000
0.0731100 0.0000000 0.0000000 0.0000000
0.2464200 0.0000000 0.0000000 0.0000000
0.6125930 0.0000000 0.0000000 0.0000000
0.2424890 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.3554993 10.0819998 2.9958999 0.9383000 0.2733000
0.0208680 0.0000000
0.1300920 0.0000000
0.3962190 0.0000000
0.6203680 0.0000000
0.0000000 1.0000000
1.5800000
1.0000000
H:DZ
GDP Dunning SCALE 1.2 4S TO [2S] JCP 53,2831
1
0
2
4
19.2406000 2.8992000 0.6534000 0.1776000
0.0328280 0.0000000
0.2312080 0.0000000
0.8172380 0.0000000
0.0000000 1.0000000
H:DZP
GDP H:DZ/S + AVERAGE P FROM JACS 101,2859(1979)
2
0 1
2 1
4 1
19.2406000 2.8992000 0.6534000 0.1776000
0.0328280 0.0000000
0.2312080 0.0000000
0.8172380 0.0000000
0.0000000 1.0000000
0.7000000
1.0000000
HE:DZ
SAK Dunning DZ EXTRPL
1
0
4
8
921.2999878 138.6999969 31.9400005 3.1580000 1.1569999
0.4446000 0.0766600 0.0286400
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
LI:DZ
GDP Dunning & HAY MOD THEOR CHEM 9S4P TO 4S2P
2
0 1
4 2
9 4
921.3000000 138.7000000 31.9400000 9.3530000 3.1580000
1.1570000 0.4446000 0.0766600 0.0286400
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.1607010 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.4880000 0.2667000 0.0720100 0.0237000
0.0387700 0.0000000
0.2362570 0.0000000
0.8304480 0.0000000
0.0000000 1.0000000
N:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2830 -54.395336 4S
2
0 1
4 2
9 5
5909.4400000 887.4510000 204.7490000 59.8376000 19.9981000
2.6860000 7.1927000 0.7000000 0.2133000
0.0020040 0.0000000 0.0000000 0.0000000
0.0153100 0.0000000 0.0000000 0.0000000
0.0742930 0.0000000 0.0000000 0.0000000
0.2533640 0.0000000 0.0000000 0.0000000
0.6005760 0.0000000 0.0000000 0.0000000
0.2451110 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
26.7860000 5.9564000 1.7074000 0.5314000 0.1654000
0.0182570 0.0000000
0.1164070 0.0000000
0.3901110 0.0000000
0.6372210 0.0000000
0.0000000 1.0000000
N:DZP
GDP Dunning DZ + POLARIZATION JACS 101,2856(1979)
3
0 1 2
4 2 1
9 5 1
5909.4399414 887.4509888 204.7489929 59.8376007 19.9981003
2.6860001 7.1926999 0.7000000 0.2133000
0.0020040 0.0000000 0.0000000 0.0000000
0.0153100 0.0000000 0.0000000 0.0000000
0.0742930 0.0000000 0.0000000 0.0000000
0.2533640 0.0000000 0.0000000 0.0000000
0.6005760 0.0000000 0.0000000 0.0000000
0.2451110 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
26.7859993 5.9563999 1.7074000 0.5314000 0.1654000
0.0182570 0.0000000
0.1164070 0.0000000
0.3901110 0.0000000
0.6372210 0.0000000
0.0000000 1.0000000
0.9020001
1.0000000
O:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2831 -74.800289 3P
2
0 1
4 2
9 5
7816.5400000 1175.8200000 273.1880000 81.1696000 27.1836000
3.4136000 9.5322000 0.9398000 0.2846000
0.0020310 0.0000000 0.0000000 0.0000000
0.0154360 0.0000000 0.0000000 0.0000000
0.0737710 0.0000000 0.0000000 0.0000000
0.2476060 0.0000000 0.0000000 0.0000000
0.6118320 0.0000000 0.0000000 0.0000000
0.2412050 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
35.1832000 7.9040000 2.3051000 0.7171000 0.2137000
0.0195800 0.0000000
0.1241890 0.0000000
0.3947270 0.0000000
0.6273750 0.0000000
0.0000000 1.0000000
O:DZP
GFA Dunning PLUS LTR OPTIMIZED D-EXPONENTJACS,OP.CIT.
3
0 1 2
4 2 1
9 5 1
7816.5400000 1175.8200000 273.1880000 81.1696000 27.1836000
3.4136000 9.5322000 0.9398000 0.2846000
0.0020310 0.0000000 0.0000000 0.0000000
0.0154360 0.0000000 0.0000000 0.0000000
0.0737710 0.0000000 0.0000000 0.0000000
0.2476060 0.0000000 0.0000000 0.0000000
0.6118320 0.0000000 0.0000000 0.0000000
0.2412050 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
35.1832000 7.9040000 2.3051000 0.7171000 0.2137000
0.0195800 0.0000000
0.1241890 0.0000000
0.3947270 0.0000000
0.6273750 0.0000000
0.0000000 1.0000000
1.2110000
1.0000000
B:DZP
MU DUNNING DZ JCP 53,2823(1970)+D EXP=0.386,RPB, JACS
3
0 1 2
4 2 1
9 5 1
2788.4100000 419.0390000 96.4683000 28.0694000 9.3760000
1.3057000 3.4062000 0.3245000 0.1022000
0.0021220 0.0000000 0.0000000 0.0000000
0.0161710 0.0000000 0.0000000 0.0000000
0.0783560 0.0000000 0.0000000 0.0000000
0.2632500 0.0000000 0.0000000 0.0000000
0.5967290 0.0000000 0.0000000 0.0000000
0.2303970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
11.3413000 2.4360000 0.6836000 0.2134000 0.0701000
0.0179870 0.0000000
0.1103390 0.0000000
0.3831110 0.0000000
0.6478600 0.0000000
0.0000000 1.0000000
0.3860000
1.0000000
SI:DZ
GWT DUNNING AND HAY DZ
2
0 1
6 4
12 8
26740.0000000 4076.0000000 953.3000000 274.6000000 90.6800000
90.6800000 33.5300000 13.4600000 4.0510000 1.4840000
0.2704000 0.0993200
0.0025830 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192370 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0938430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3412350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6416750 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1214390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6531430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2776240 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
163.7000000 38.3500000 12.0200000 4.1850000 4.1850000
1.4830000 0.3350000 0.0969900
0.0114980 0.0000000 0.0000000 0.0000000
0.0777260 0.0000000 0.0000000 0.0000000
0.2635950 0.0000000 0.0000000 0.0000000
0.7582690 0.0000000 0.0000000 0.0000000
0.0000000 -1.1730450 0.0000000 0.0000000
0.0000000 1.4383350 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
SI:DZP
GWT DUNNING DZ PLUS HUZINAGA P
3
0 1 2
6 4 1
12 8 1
26740.0000000 4076.0000000 953.3000000 274.6000000 90.6800000
90.6800000 33.5300000 13.4600000 4.0510000 1.4840000
0.2704000 0.0993200
0.0025830 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192370 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0938430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3412350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6416750 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1214390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6531430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2776240 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
163.7000000 38.3500000 12.0200000 4.1850000 4.1850000
1.4830000 0.3350000 0.0969900
0.0114980 0.0000000 0.0000000 0.0000000
0.0777260 0.0000000 0.0000000 0.0000000
0.2635950 0.0000000 0.0000000 0.0000000
0.7582690 0.0000000 0.0000000 0.0000000
0.0000000 -1.1730450 0.0000000 0.0000000
0.0000000 1.4383350 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.2800000
1.0000000
NA:DZ
GBF MCLEAN CHANDLER IBM REPORT RJ2665 1979
2
0 1
6 4
13 8
36166.4200000 5372.5800000 1213.2100000 339.6200000 109.5500000
38.7770000 38.7770000 14.5760000 5.2699000 1.8278000
0.6199000 0.0572000 0.0240000
0.0010320 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0080710 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0421290 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1697890 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5146180 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3798210 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3747610 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5757680 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1129350 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
146.3200000 34.1770000 10.5710000 3.6908000 1.3194000
0.4636000 0.0690000 0.0209000
0.0062790 0.0000000 0.0000000 0.0000000
0.0456060 0.0000000 0.0000000 0.0000000
0.1824940 0.0000000 0.0000000 0.0000000
0.4146240 0.0000000 0.0000000 0.0000000
0.5276630 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
LI:DZP
GBF LI DZ + D FUNCT ENERGY OPTIMIZED BY GBF
3
0 1 2
4 2 1
9 4 1
921.3000000 138.7000000 31.9400000 9.3530000 3.1580000
1.1570000 0.4446000 0.0766600 0.0286400
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.1607010 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.4880000 0.2667000 0.0720100 0.0237000
0.0387700 0.0000000
0.2362570 0.0000000
0.8304480 0.0000000
0.0000000 1.0000000
0.7000000
1.0000000
NA:DZP
GBF NA DZ + D FUNCTION ENERGY OPTIMIZED BY GBF
3
0 1 2
6 4 1
13 8 1
36166.4200000 5372.5800000 1213.2100000 339.6200000 109.5500000
38.7770000 38.7770000 14.5760000 5.2699000 1.8278000
0.6199000 0.0572000 0.0240000
0.0010320 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0080710 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0421290 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1697890 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5146180 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3798210 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3747610 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5757680 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1129350 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
146.3200000 34.1770000 10.5710000 3.6908000 1.3194000
0.4636000 0.0690000 0.0209000
0.0062790 0.0000000 0.0000000 0.0000000
0.0456060 0.0000000 0.0000000 0.0000000
0.1824940 0.0000000 0.0000000 0.0000000
0.4146240 0.0000000 0.0000000 0.0000000
0.5276630 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.9000000
1.0000000
N:TZ2P
JG DUNNING [5S3P] set with two d exponents (contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
13520.0000000 1999.0000000 440.0000000 120.9000000 38.4700000
13.4600000 13.4600000 4.9930000 1.5690000 0.5800000
0.1923000
0.0007600 0.0000000 0.0000000 0.0000000 0.0000000
0.0060760 0.0000000 0.0000000 0.0000000 0.0000000
0.0328470 0.0000000 0.0000000 0.0000000 0.0000000
0.1323960 0.0000000 0.0000000 0.0000000 0.0000000
0.3932610 0.0000000 0.0000000 0.0000000 0.0000000
0.5463390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2520360 0.0000000 0.0000000 0.0000000
0.0000000 0.7793850 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
35.9100000 8.4800000 2.7060000 0.9921000 0.3727000
0.1346000
0.0169160 0.0000000 0.0000000
0.1022000 0.0000000 0.0000000
0.3381340 0.0000000 0.0000000
0.6692810 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.1611000 0.6401000 0.5300000
0.3578510 0.0000000
0.7595610 0.0000000
0.0000000 1.0000000
O:TZ2P
JG Dunning [5S3P] set with two d exponent (contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
18050.0000000 2660.0000000 585.7000000 160.9000000 51.1600000
17.9000000 17.9000000 6.6390000 2.0770000 0.7736000
0.2558000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000
0.0060660 0.0000000 0.0000000 0.0000000 0.0000000
0.0327820 0.0000000 0.0000000 0.0000000 0.0000000
0.1326090 0.0000000 0.0000000 0.0000000 0.0000000
0.3968390 0.0000000 0.0000000 0.0000000 0.0000000
0.5425720 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2624900 0.0000000 0.0000000 0.0000000
0.0000000 0.7698280 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
49.8300000 11.4900000 3.6090000 1.3210000 0.4821000
0.1651000
0.0163580 0.0000000 0.0000000
0.1064530 0.0000000 0.0000000
0.3493020 0.0000000 0.0000000
0.6571830 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.8282000 0.8377000 0.6700000
0.3578510 0.0000000
0.7595610 0.0000000
0.0000000 1.0000000
C:TZ2P
JG DUNNING [5S3P] set with two d exponents (contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
9471.0000000 1398.0000000 307.5000000 84.5400000 26.9100000
9.4090000 9.4090000 3.5000000 1.0680000 0.4002000
0.1351000
0.0007760 0.0000000 0.0000000 0.0000000 0.0000000
0.0062180 0.0000000 0.0000000 0.0000000 0.0000000
0.0335750 0.0000000 0.0000000 0.0000000 0.0000000
0.1342780 0.0000000 0.0000000 0.0000000 0.0000000
0.3936680 0.0000000 0.0000000 0.0000000 0.0000000
0.5441690 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2480750 0.0000000 0.0000000 0.0000000
0.0000000 0.7828440 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
25.3700000 5.7760000 1.7870000 0.6577000 0.2480000
0.0910600
0.0162950 0.0000000 0.0000000
0.1020980 0.0000000 0.0000000
0.3402280 0.0000000 0.0000000
0.6682690 0.0000000 0.000