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[交流] 【求助】关于用G09算溶剂化能的问题已有9人参与

我用G09计算DMSO在DMSO中的溶剂化能，输入文件的一部分如下，
opt freq hf/6-31+g**  scrf(read,pcm,solvent=dimethylsulfoxide)，这样计算出来的结果找不到DeltaG，也没看到相关能量，如G03中类似的能量形式
Variational C-PCM results
=========================
                  (a.u.) = -551.544999
                  (a.u.) = -551.551263
                  (a.u.) = -551.551943
                  (a.u.) = -551.544233
                  (a.u.) = -551.551944
Total free energy in solution:
  with all non electrostatic terms          (a.u.) = -551.547465
--------------------------------------------------------------------
(Unpolarized solute)-Solvent          (kcal/mol) =    -3.93
(Polarized solute)-Solvent             (kcal/mol) =    -4.84
Solute polarization                   (kcal/mol) =    0.48
Total electrostatic                   (kcal/mol) =    -4.36
--------------------------------------------------------------------
Cavitation energy                      (kcal/mol) =    12.89
Dispersion energy                      (kcal/mol) =    -10.80
Repulsion energy                      (kcal/mol) =    0.72
Total non electrostatic                (kcal/mol) =    2.81
DeltaG (solv)                         (kcal/mol) =    -1.55
看了下g09的帮助文献，将输入改成opt freq hf/6-31+g**  scrf(read,SMD,solvent=dimethylsulfoxide），结果在输出文件中出现了
Keep R1 ints in memory in canonical form, NReq=22711753.
Error on total polarization charges =  0.02051
SCF Done:  E(RHF) =  -551.571142309    A.U. after 9 cycles
         Convg  = 0.8499D-08          -V/T =  2.0010
SMD-CDS (non-electrostatic) energy          (kcal/mol) =    -0.02
(included in total energy above)
我想请问一下SMD.......=-0.02是不是g09算出来的溶剂化能，如果是的话，与G03的结果差得太大，如果不是的话，那该怎么写输入文件才能得到g09的溶剂化能？谢谢高手的指点

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