3 Recommendations, problems, Questions

3.1 Recommendations
Precision
Electronic Configuration
Geometry Optimization
Basis Sets for Organic Molecules: Single-zeta vs. Double-zeta
Frequencies
Relativistic methods
3.2 Trouble Shooting
License file corrupt
Recover from Crash
Memory Management
SCF
Geometry Optimization
Frequencies
Input ignored
SFO Populations
Error Aborts
Warnings
3.3 Questions

 

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