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Zero-point correction=                           0.318636 (Hartree/Particle)  
Thermal correction to Energy=                    0.342790
Thermal correction to Enthalpy=                  0.343734
Thermal correction to Gibbs Free Energy=         0.260712
Sum of electronic and zero-point Energies=          -4014.081556
Sum of electronic and thermal Energies=             -4014.057402
Sum of electronic and thermal Enthalpies=           -4014.056458
Sum of electronic and thermal Free Energies=        -4014.139480
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7Â¥: Originally posted by 119243775 at 2012-06-12 13:24:31
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119243775: ½ð±Ò+3, ¡ïÓаïÖú 2012-06-12 08:58:56
gmy1990: ½ð±Ò+2 2012-06-12 09:22:15
Sum of electronic and thermal Enthalpies=           -4014.056458
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4Â¥2012-06-12 08:18:10
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ÒýÓûØÌû:
4Â¥: Originally posted by gongxd325 at 2012-06-12 08:18:10
Sum of electronic and thermal Enthalpies=           -4014.056458

¾ÍÊÇÓÃÉú³ÉµÄÎïÖʵÄSum of electronic and thermal EnthalpiesÖµÏà¼Ó¼õÈ¥·´Ó¦µÄÎïÖʵÄSum of electronic and thermal Enthalpies¾ÍÊÇBDE£¿
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