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RUNTYP=keyword
Keyword | Description |
ENERGY | Single point calculation |
OPTIMIZE | Geometry optimization |
TRUDGE | Non-gradient geometry optimization |
SADPOINT | Transition state optimization |
IRC | Intrinsic reaction coordinate search for transition state; requires $IRC |
DRC | Dynamic reaction coordinate search for transition state; requires $DRC |
HESSIAN | Energy + gradient + second derivative + vibrational analysis |
TRANSITN | Find radiative transition moment |
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