Graduate How can I tell Gaussian to read coordinates as Cartesian?

Click For Summary
The discussion revolves around optimizing a complex molecule (C60H52O18P4S4W2) using Gaussian software, but the user encounters errors related to the internal coordinate system after two days of computation. The error messages indicate issues with eigenvalues that should be greater than a specific threshold, suggesting problems with the optimization process. A request for clarification highlights the need for more context about the user's specific setup and the Gaussian program being used. The conversation emphasizes the importance of providing detailed information to receive effective assistance. Overall, the user seeks guidance on how to configure Gaussian to interpret coordinates as Cartesian to resolve the optimization issue.
Dan Zar
Messages
8
Reaction score
0
Hello,

I have been I am trying to optimize a molecule (crowded) with the chemical formula C60H52O18P4S4W2.

The problem arises after 2 days, which means that the initial geometry was not a problem. "
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
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.
 
Physics news on Phys.org
I certainly have no idea what you are talking about. Is this some specific program you are running? If you want an answer you will need to give more information about what you are doing and what the question is.
 
Thread 'Unexpected irregular reflection signal from a high-finesse cavity'
I am observing an irregular, aperiodic noise pattern in the reflection signal of a high-finesse optical cavity (finesse ≈ 20,000). The cavity is normally operated using a standard Pound–Drever–Hall (PDH) locking configuration, where an EOM provides phase modulation. The signals shown in the attached figures were recorded with the modulation turned off. Under these conditions, when scanning the laser frequency across a cavity resonance, I expected to observe a simple reflection dip. Instead...