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ÓÅ»¯½á¹¹µÄʱµÃµ½µÄÄÜÁ¿  NSERCH= 20     ENERGY=    -227.6171699

¼ÆËãÆµÂʵõ½µÄÈÈÁ¦Ñ§²ÎÊý
              E         H         G         CV        CP        S

           KJ/MOL    KJ/MOL    KJ/MOL   J/MOL-K   J/MOL-K   J/MOL-K

ELEC.      0.000     0.000     0.000     0.000     0.000     0.000

TRANS.     3.718     6.197   -41.451    12.472    20.786   159.813

ROT.       3.718     3.718   -26.127    12.472    12.472   100.103

VIB.     162.277   162.277   154.645    39.061    39.061    25.601

TOTAL    169.714   172.193    87.066    64.004    72.318   285.516

E(T)-E(0) = H(T)-H(0) =  4893.903



              E         H         G         CV        CP        S

         KCAL/MOL  KCAL/MOL  KCAL/MOL CAL/MOL-K CAL/MOL-K CAL/MOL-K

ELEC.      0.000     0.000     0.000     0.000     0.000     0.000

TRANS.     0.889     1.481    -9.907     2.981     4.968    38.196

ROT.       0.889     0.889    -6.245     2.981     2.981    23.925

VIB.      38.785    38.785    36.961     9.336     9.336     6.119

TOTAL     40.563    41.155    20.809    15.297    17.285    68.240

E(T)-E(0) = H(T)-H(0) =  1169.671
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