Hello,(adsbygoogle = window.adsbygoogle || []).push({});

I have been I am trying to optimize a molecule (crowded) with the chemical formula C_{60}H_{52}O_{18}P_{4}S_{4}W_{2}.

The problem arises after 2 days, which means that the initial geometry was not a problem.

"

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Berny optimization.

Eigenvalue 413 is 0.00D+00 should be greater than 0.000001 Eigenvector:

D277 D150 D285 D125 D107

1 0.20405 0.18720 0.18095 -0.15451 0.15144

D106 A25 D282 A12 A102

1 -0.13068 0.11427 0.11277 0.10924 0.10854

Eigenvalue 414 is 0.00D+00 should be greater than 0.000001 Eigenvector:

D83 D84 A21 A20 D154

1 0.21436 -0.21436 -0.16516 -0.16486 -0.16256

D10 D139 A98 D156 A25

1 -0.15477 -0.14609 -0.13263 0.13015 -0.11971

NTrRot= -1 NTRed= 736 NAtoms= 140 NSkip= 322 IsLin=F

Error in internal coordinate system.

Error termination via Lnk1e in /sw/apps/gaussian/g09.a02/tintin/l103.exe at Mon May 2 10:48:44 2016.

Job cpu time: 2 days 10 hours 51 minutes 51.9 seconds.

File lengths (MBytes): RWF= 3620 Int= 0 D2E= 0 Chk= 92 Scr= 1

"

Thank you very much.

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# A How can I tell Gaussian to read coordinates as Cartesian?

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