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Zero-point correction=                           0.137249 (Hartree/Particle)
Thermal correction to Energy=                    0.148166
Thermal correction to Enthalpy=                  0.149111
Thermal correction to Gibbs Free Energy=         0.095875
Sum of electronic and zero-point Energies=           -951.897947
Sum of electronic and thermal Energies=              -951.887029
Sum of electronic and thermal Enthalpies=            -951.886085
Sum of electronic and thermal Free Energies=         -951.939321
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[ Last edited by suosuosky on 2013-10-30 at 18:44 ]
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gmy1990: ½ð±Ò+2 2013-10-30 23:42:09
suosuosky: ½ð±Ò+3, ¡ï¡ï¡ïºÜÓаïÖú, лл£¡ÄÇÄã¼ÆËã¹ýÍŴؽáºÏÄÜÁËÂð£¿ÊÇÓõÄÊÇÕâ¸öÄÜÁ¿¼õÈ¥Á½¸öµ¥ÌåµÄÓÅ»¯ºóµÄÄÜÁ¿Â𣿠2013-10-31 08:41:40
ÎÒÒ²ÊÇËãµÄÍÅ´ØÓõÄÊÇSum of electronic and zero-point Energies=           -951.897947Õâ¸öÖµ
2Â¥2013-10-30 21:53:21
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gmy1990: ½ð±Ò+3 2013-10-30 23:42:03
suosuosky: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú, лл£¡ 2013-10-31 08:42:18
Sum of electronic and zero-point Energies=           -951.897947
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suosuosky

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3Â¥: Originally posted by wolfzhong at 2013-10-30 23:23:23
Sum of electronic and zero-point Energies=           -951.897947
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follow_my_dream
4Â¥2013-10-31 08:44:36
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wolfzhong

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gkf¸ß: ½ð±Ò+2 2013-10-31 09:51:02
suosuosky: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú 2013-10-31 14:21:46
Sum of electronic and zero-point EnergiesÊÇMP2+zpeÄÜÁ¿
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5Â¥2013-10-31 08:55:58
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suosuosky

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5Â¥: Originally posted by wolfzhong at 2013-10-31 08:55:58
Sum of electronic and zero-point EnergiesÊÇMP2+zpeÄÜÁ¿
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follow_my_dream
6Â¥2013-10-31 14:29:55
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