-----------------------------------------------------------------------
Final Gibbs free energy ... -1031.94729093 Eh
For completeness - the Gibbs free energy minus the electronic energy
G-E(el) ... 0.26148257 Eh 164.08 kcal/mol
Actual Hessian File stored as orca.001.hess
------------------------------------------------------------------------------第二次在文件末尾：
-----------------------------------------------------------------------
Final Gibbs free energy ... -1031.94780380 Eh
For completeness - the Gibbs free energy minus the electronic energy
G-E(el) ... 0.26211669 Eh 164.48 kcal/mol
Timings for individual modules:
Sum of individual times ... 1873.857 sec (= 31.231 min)
GTO integral calculation ... 11.085 sec (= 0.185 min) 0.6 %
SCF iterations ... 546.239 sec (= 9.104 min) 29.2 %
SCF Gradient evaluation ... 128.839 sec (= 2.147 min) 6.9 %
Geometry relaxation ... 1.731 sec (= 0.029 min) 0.1 %
Analytical frequency calculation... 1185.962 sec (= 19.766 min) 63.3 %
****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 0 hours 31 minutes 19 seconds 610 msec