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1. ÓÉRHFµÃµ½»ù̬µÄÄÜÁ¿£¬¼´Sum of electronic and zero-point Energies£¬ÔÙÓÐCIS¼ÆËã³öµÚÒ»¼¤·¢Ì¬µÄÄÜÁ¿£¬¼´Sum of electronic and zero-point Energies£¬Á½ÕßÏà¼õÊDz»ÊÇԾǨÄÜ£¿
Zero-point correction=                           0.134507 (Hartree/Particle)
Thermal correction to Energy=                    0.143686
Thermal correction to Enthalpy=                  0.144631
Thermal correction to Gibbs Free Energy=         0.099536
Sum of electronic and zero-point Energies=           -436.081352
Sum of electronic and thermal Energies=              -436.072173
Sum of electronic and thermal Enthalpies=            -436.071229
Sum of electronic and thermal Free Energies=         -436.116324

2.Ö±½ÓÒÔ»ù̬µÄÓÅ»¯ºÃµÄ¹¹ÐͽøÐÐCIS¼ÆË㣬CISµÄÊä³öÎļþÖÐÓÐÒ»ÏîÊÇ£ºExcited state symmetry could not be determined.
Excited State   1:      Singlet-?Sym    5.3021 eV  233.84 nm  f=0.3215  =0.000
      34 -> 44         0.19452
      35 -> 38        -0.10533
      35 -> 41         0.44192
      35 -> 42        -0.42915
This state for optimization and/or second-order correction.
Copying the excited state density for this state as the 1-particle RhoCI density.
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