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[交流] 【求助】如何在以下高斯03输出文件中得到二阶超极化率已有6人参与

<γ>的各个分量是多少,在哪里?

Dipole moment (field-independent basis, Debye):
X=    0.6915 Y=    0.2627 Z=    0.0000  Tot=    0.7397
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -72.1916 YY= -73.6973 ZZ= -89.9511
XY= -2.3909 XZ=    0.0000 YZ=    0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX=    6.4218 YY=    4.9160 ZZ= -11.3377
XY= -2.3909 XZ=    0.0000 YZ=    0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
  XXX= 40.6015  YYY= -1.8219  ZZZ=    0.0000  XYY= -3.9133
  XXY= 15.6956  XXZ=    0.0000  XZZ= -6.2461  YZZ= -0.7539
  YYZ=    0.0000  XYZ= -0.0004
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -4562.8469 YYYY=  -492.1221 ZZZZ=  -109.5764 XXXY= -94.1069
XXXZ= -0.0017 YYYX=    2.9680 YYYZ=    0.0000 ZZZX=    0.0001
ZZZY=    0.0000 XXYY=  -797.5517 XXZZ=  -936.9767 YYZZ=  -123.8276
XXYZ=    0.0002 YYXZ=    0.0000 ZZXY=    3.4891
N-N= 7.628912261271D+02 E-N=-3.620480346817D+03  KE= 8.897100382751D+02
  Exact polarizability: 240.264  12.853 136.473 0.000 0.000  80.021
Approx polarizability: 180.402  12.521 143.400 0.000 0.000  88.535
Full mass-weighted force constant matrix:
Low frequencies --- -0.3003 -0.2018 0.0013 0.0024 0.0025 0.2635
Low frequencies --- 26.2117 69.8678 88.0743
Diagonal vibrational polarizability:
   10.5242669    2.3566937    17.4199031
Diagonal vibrational hyperpolarizability:
   -34.2316821    -8.3324288    -0.0198722

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Dipole moment (field-independent basis, Debye):
X=    2.2231 Y=    0.0107 Z=    0.0017  Tot=    2.2232
  Exact polarizability: 104.083  -1.054  74.636 0.077 0.025  30.894
Approx polarizability:  90.714  -1.805  75.613 0.194  -0.138  35.681
Full mass-weighted force constant matrix:
Low frequencies --- -187.2106 -111.8010  -94.2553 -0.0095 -0.0074 0.0114
Low frequencies ---  124.1801  237.7596  306.5434
Diagonal vibrational polarizability:
      5.0427417    0.4222572    4.1580607
Diagonal vibrational hyperpolarizability:
   84.2991000    1.3160986    6.0298598

我是要求极化率，希望可以用一个数值计算表示极化率，希望哪位高手告诉我怎么换算的？并且到底是用那些数值！使用说明讲是在偶极距后面和频率前面，但都是有很多数值的，希望可以告知具体计算方法将其转换为一个数值直接比较！