From owner-chemistry ^at^ ccl.net Fri Sep 26 03:16:00 2014
From: "ZHAN Fei zhanfei|ihep.ac.cn" <owner-chemistry.-!at!-.server.ccl.net>
To: CCL
Subject: CCL:G: consult about Guassian error"End of file in GetChg"
Message-Id: <-50533-140925102216-30576-Vn635zLIjODI6fSDeFSUIQ. #at# .server.ccl.net>
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Sent to CCL by: "ZHAN Fei" [zhanfei:-:ihep.ac.cn]
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Dear all,
sorry for messy code in previous mail.
I want to do a Guassian td opt of a Pt complex(input file is followed),in the output files it says:


Leave Link  107 at Sat Sep 20 17:12:14 2014, MaxMem=   33554432 cpu:       1.0
 (Enter D:\G09W\l101.exe)




 Symbolic Z-matrix:
 End of file in GetChg.
 Error termination via Lnk1e in D:\G09W\l101.exe at Sat Sep 20 17:12:14 2014.
 Job cpu time:  0 days  1 hours 53 minutes 16.0 seconds.
 File lengths (MBytes):  RWF=    247 Int=      0 D2E=      0 Chk=     25 Scr=      1
.


I searched the internet,http://www.ace-net.ca/wiki/Gaussian_Error_Messages#End_of_file_in_GetChg,but it didn't help.


Could someone give some advises kindly?


Sincerely,




%chk=Pt1a_small.chk
#p opt td b3lyp/genecp geom=connectivity fopt=maxcycles=1024
scf=(conver=7,maxcycles=2048)


Title Card Required


0 1
 Pt                 0.35598703    3.41423943    0.00000000
 N                 -0.02801297    2.15923943   -1.46300000
 C                  0.74998703    4.64123943    1.49500000
 N                 -1.64601297    3.65923943   -0.12600000
 N                  2.23298703    2.75723943   -0.36900000
 C                  1.00998703    1.53423943   -2.04600000
 C                 -1.30201297    2.03323943   -1.87500000
 C                 -2.23501297    2.85523943   -1.08300000
 C                  2.29398703    1.81723943   -1.37400000
 C                 -2.41001297    4.49923943    0.59500000
 C                  3.36698703    3.11523943    0.26100000
 C                  1.01998703    5.38923943    2.40500000
 C                 -1.57901297    1.23723943   -2.97400000
 C                  0.79098703    0.75723943   -3.17700000
 C                 -3.60601297    2.86223943   -1.26000000
 C                  3.47998703    1.17523943   -1.68700000
 C                 -3.79101297    4.55523943    0.43100000
 C                  4.58298703    2.50723943   -0.03100000
 C                  1.34198703    6.28123943    3.49000000
 C                 -0.52101297    0.62023943   -3.63300000
 C                 -4.39601297    3.70623943   -0.48900000
 C                  4.63498703    1.50923943   -0.98900000
 H                 -1.94404745    5.14103801    1.31324140
 H                  3.33214835    3.88507273    1.00332268
 H                 -2.58587089    1.09982962   -3.30904579
 H                  1.60332734    0.27858586   -3.68285964
 H                 -4.05701208    2.22039827   -1.98769480
 H                  3.50730259    0.43176154   -2.45602177
 H                 -4.37843578    5.24152145    1.00445570
 H                  5.47261955    2.80876993    0.48138007
 H                  1.09279944    6.01265143    4.49531887
 H                  1.83026716    7.21215835    3.29031908
 H                 -0.71615804    0.03058101   -4.50427570
 H                 -5.45999759    3.70281849   -0.60224765
 H                  5.55445087    1.00028440   -1.19012437


 1 4 1.0 2 1.0 5 1.0 3 1.0
 2 6 1.5 7 1.5
 3 12 3.0
 4 8 1.5 10 1.5
 5 9 1.5 11 1.5
 6 9 1.0 14 1.5
 7 8 1.0 13 2.0
 8 15 2.0
 9 16 2.0
 10 17 1.5 23 1.0
 11 18 1.5 24 1.0
 12 19 1.5
 13 20 1.5 25 1.0
 14 20 1.5 26 1.0
 15 21 1.5 27 1.0
 16 22 1.5 28 1.0
 17 21 1.5 29 1.0
 18 22 2.0 30 1.0
 19 31 1.0 32 1.0
 20 33 1.0
 21 34 1.0
 22 35 1.0
 23
 24
 25
 26
 27
 28
 29
 30
 31
 32
 33
 34
 35


-C -N -H -O 0
6-31G**
****
-Pt 0
LANL2DZ
****


-Pt 0
LANL2DZ
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<div>Dear all,</div><div>sorry for messy code in previous mail.</div><div>I want to do a Guassian td opt of a Pt complex(input file is followed),in the output files it says:</div><div><br></div><div>Leave Link &nbsp;107 at Sat Sep 20 17:12:14 2014, MaxMem= &nbsp; 33554432 cpu: &nbsp; &nbsp; &nbsp; 1.0</div><div>&nbsp;(Enter D:\G09W\l101.exe)</div><div><br></div><div><br></div><div>&nbsp;Symbolic Z-matrix:</div><div>&nbsp;End of file in GetChg.</div><div>&nbsp;Error termination via Lnk1e in D:\G09W\l101.exe at Sat Sep 20 17:12:14 2014.</div><div>&nbsp;Job cpu time: &nbsp;0 days &nbsp;1 hours 53 minutes 16.0 seconds.</div><div>&nbsp;File lengths (MBytes): &nbsp;RWF= &nbsp; &nbsp;247 Int= &nbsp; &nbsp; &nbsp;0 D2E= &nbsp; &nbsp; &nbsp;0 Chk= &nbsp; &nbsp; 25 Scr= &nbsp; &nbsp; &nbsp;1</div><div>.</div><div><br></div><div>I searched the internet,http://www.ace-net.ca/wiki/Gaussian_Error_Messages#End_of_file_in_GetChg,but it didn't help.</div><div><br></div><div>Could someone give some advises kindly?</div><div><br></div><div>Sincerely,</div><div><br></div><div><br></div><div>%chk=Pt1a_small.chk</div><div>#p opt td b3lyp/genecp geom=connectivity fopt=maxcycles=1024</div><div>scf=(conver=7,maxcycles=2048)</div><div><br></div><div>Title Card Required</div><div><br></div><div>0 1</div><div>&nbsp;Pt &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; 0.35598703 &nbsp; &nbsp;3.41423943 &nbsp; &nbsp;0.00000000</div><div>&nbsp;N &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -0.02801297 &nbsp; &nbsp;2.15923943 &nbsp; -1.46300000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;0.74998703 &nbsp; &nbsp;4.64123943 &nbsp; &nbsp;1.49500000</div><div>&nbsp;N &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -1.64601297 &nbsp; &nbsp;3.65923943 &nbsp; -0.12600000</div><div>&nbsp;N &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;2.23298703 &nbsp; &nbsp;2.75723943 &nbsp; -0.36900000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;1.00998703 &nbsp; &nbsp;1.53423943 &nbsp; -2.04600000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -1.30201297 &nbsp; &nbsp;2.03323943 &nbsp; -1.87500000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -2.23501297 &nbsp; &nbsp;2.85523943 &nbsp; -1.08300000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;2.29398703 &nbsp; &nbsp;1.81723943 &nbsp; -1.37400000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -2.41001297 &nbsp; &nbsp;4.49923943 &nbsp; &nbsp;0.59500000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;3.36698703 &nbsp; &nbsp;3.11523943 &nbsp; &nbsp;0.26100000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;1.01998703 &nbsp; &nbsp;5.38923943 &nbsp; &nbsp;2.40500000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -1.57901297 &nbsp; &nbsp;1.23723943 &nbsp; -2.97400000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;0.79098703 &nbsp; &nbsp;0.75723943 &nbsp; -3.17700000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -3.60601297 &nbsp; &nbsp;2.86223943 &nbsp; -1.26000000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;3.47998703 &nbsp; &nbsp;1.17523943 &nbsp; -1.68700000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -3.79101297 &nbsp; &nbsp;4.55523943 &nbsp; &nbsp;0.43100000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;4.58298703 &nbsp; &nbsp;2.50723943 &nbsp; -0.03100000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;1.34198703 &nbsp; &nbsp;6.28123943 &nbsp; &nbsp;3.49000000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -0.52101297 &nbsp; &nbsp;0.62023943 &nbsp; -3.63300000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -4.39601297 &nbsp; &nbsp;3.70623943 &nbsp; -0.48900000</div><div>&nbsp;C &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;4.63498703 &nbsp; &nbsp;1.50923943 &nbsp; -0.98900000</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -1.94404745 &nbsp; &nbsp;5.14103801 &nbsp; &nbsp;1.31324140</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;3.33214835 &nbsp; &nbsp;3.88507273 &nbsp; &nbsp;1.00332268</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -2.58587089 &nbsp; &nbsp;1.09982962 &nbsp; -3.30904579</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;1.60332734 &nbsp; &nbsp;0.27858586 &nbsp; -3.68285964</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -4.05701208 &nbsp; &nbsp;2.22039827 &nbsp; -1.98769480</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;3.50730259 &nbsp; &nbsp;0.43176154 &nbsp; -2.45602177</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -4.37843578 &nbsp; &nbsp;5.24152145 &nbsp; &nbsp;1.00445570</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;5.47261955 &nbsp; &nbsp;2.80876993 &nbsp; &nbsp;0.48138007</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;1.09279944 &nbsp; &nbsp;6.01265143 &nbsp; &nbsp;4.49531887</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;1.83026716 &nbsp; &nbsp;7.21215835 &nbsp; &nbsp;3.29031908</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -0.71615804 &nbsp; &nbsp;0.03058101 &nbsp; -4.50427570</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -5.45999759 &nbsp; &nbsp;3.70281849 &nbsp; -0.60224765</div><div>&nbsp;H &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;5.55445087 &nbsp; &nbsp;1.00028440 &nbsp; -1.19012437</div><div><br></div><div>&nbsp;1 4 1.0 2 1.0 5 1.0 3 1.0</div><div>&nbsp;2 6 1.5 7 1.5</div><div>&nbsp;3 12 3.0</div><div>&nbsp;4 8 1.5 10 1.5</div><div>&nbsp;5 9 1.5 11 1.5</div><div>&nbsp;6 9 1.0 14 1.5</div><div>&nbsp;7 8 1.0 13 2.0</div><div>&nbsp;8 15 2.0</div><div>&nbsp;9 16 2.0</div><div>&nbsp;10 17 1.5 23 1.0</div><div>&nbsp;11 18 1.5 24 1.0</div><div>&nbsp;12 19 1.5</div><div>&nbsp;13 20 1.5 25 1.0</div><div>&nbsp;14 20 1.5 26 1.0</div><div>&nbsp;15 21 1.5 27 1.0</div><div>&nbsp;16 22 1.5 28 1.0</div><div>&nbsp;17 21 1.5 29 1.0</div><div>&nbsp;18 22 2.0 30 1.0</div><div>&nbsp;19 31 1.0 32 1.0</div><div>&nbsp;20 33 1.0</div><div>&nbsp;21 34 1.0</div><div>&nbsp;22 35 1.0</div><div>&nbsp;23</div><div>&nbsp;24</div><div>&nbsp;25</div><div>&nbsp;26</div><div>&nbsp;27</div><div>&nbsp;28</div><div>&nbsp;29</div><div>&nbsp;30</div><div>&nbsp;31</div><div>&nbsp;32</div><div>&nbsp;33</div><div>&nbsp;34</div><div>&nbsp;35</div><div><br></div><div>-C -N -H -O 0</div><div>6-31G**</div><div>****</div><div>-Pt 0</div><div>LANL2DZ</div><div>****</div><div><br></div><div>-Pt 0</div><div>LANL2DZ</div>
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