Comments (1)
Turns out it was an issue with the last frequency in the .in file. There was no space between the two frequencies. By running another jaguar calculation and using those files instead, it seems to work now.
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Related Issues (20)
- Problem with Hessian options
- Grabbing Eigenvalues HOT 1
- Exit status 3 from MacroModel HOT 5
- Input for compare.py and loop.py HOT 4
- Setup esp HOT 1
- Strange error reading Gaussian frequencies HOT 7
- Multiple Processing HOT 5
- Informative ValueError HOT 6
- Simplex HOT 25
- Dangerous torsion-test HOT 4
- License checking HOT 4
- SVD HOT 12
- Hessian inversion HOT 18
- Mass weight Gaussian energy derivative datatypes HOT 3
- loop error HOT 2
- The loop is broken HOT 2
- New method to read Jaguar eigenvalues HOT 1
- true/false properties in .mae file not working HOT 4
- RCA4 and TORC bond attributes not changing after merge HOT 1
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