21  21   1   0
  0.5714286E+03  0.3000000E-08  0.2000000E-08  0.2000000E-08  0.5000000E-15
  1.000000000000000E-004
  CAR 
 vinyl-trimethoxy-silane molecule        
      2.79088454    -27.45970034  301     -6.06866420      1.00000000
    -27.460  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
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    -27.056 -0.5846E-29 -0.5846E-29 -0.5897E-30 -0.5897E-30
    -26.956 -0.1331E-25 -0.1331E-25 -0.1343E-26 -0.1343E-26
    -26.855 -0.1814E-22 -0.1814E-22 -0.1830E-23 -0.1830E-23
    -26.754 -0.1479E-19 -0.1479E-19 -0.1493E-20 -0.1493E-20
    -26.653 -0.7204E-17 -0.7204E-17 -0.7279E-18 -0.7279E-18
    -26.552 -0.2025E-14 -0.2025E-14 -0.2049E-15 -0.2049E-15
    -26.451 -0.3484E-12 -0.3484E-12 -0.3534E-13 -0.3534E-13
    -26.351 -0.3552E-10 -0.3552E-10 -0.3617E-11 -0.3617E-11
    -26.250 -0.2135E-08 -0.2135E-08 -0.2189E-09 -0.2189E-09
    -26.149 -0.7508E-07 -0.7508E-07 -0.7790E-08 -0.7790E-08
    -26.048 -0.1522E-05 -0.1522E-05 -0.1613E-06 -0.1613E-06
    -25.947 -0.1730E-04 -0.1730E-04 -0.1906E-05 -0.1906E-05
    -25.846 -0.1033E-03 -0.1033E-03 -0.1233E-04 -0.1233E-04
    -25.746 -0.2579E-03 -0.2579E-03 -0.3833E-04 -0.3833E-04
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    -25.443  0.4882E-02  0.4882E-02  0.7130E-03  0.7130E-03
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    -25.140 -0.4266E-03 -0.4266E-03  0.1239E-02  0.1239E-02
    -25.040 -0.6743E-03 -0.6743E-03  0.1171E-02  0.1171E-02
    -24.939  0.1388E-02  0.1388E-02  0.1311E-02  0.1311E-02
    -24.838  0.6667E-02  0.6667E-02  0.1984E-02  0.1984E-02
    -24.737  0.1010E-01  0.1010E-01  0.3002E-02  0.3002E-02
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    -24.334 -0.3206E-03 -0.3206E-03  0.3758E-02  0.3758E-02
    -24.233 -0.7179E-04 -0.7179E-04  0.3751E-02  0.3751E-02
    -24.132 -0.8091E-05 -0.8091E-05  0.3750E-02  0.3750E-02
    -24.031 -0.5055E-06 -0.5055E-06  0.3750E-02  0.3750E-02
    -23.930 -0.1816E-07 -0.1816E-07  0.3750E-02  0.3750E-02
    -23.830 -0.3817E-09 -0.3817E-09  0.3750E-02  0.3750E-02
    -23.729 -0.4741E-11 -0.4741E-11  0.3750E-02  0.3750E-02
    -23.628 -0.3499E-13 -0.3499E-13  0.3750E-02  0.3750E-02
    -23.527 -0.1541E-15 -0.1541E-15  0.3750E-02  0.3750E-02
    -23.426  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
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    -23.023  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -22.922  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -22.821  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -22.720  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
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    -22.519  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
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    -20.905  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -20.805  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -20.704  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -20.603  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -20.502  0.0000E+00  0.0000E+00  0.3750E-02  0.3750E-02
    -20.401 -0.6644E-30 -0.6644E-30  0.3750E-02  0.3750E-02
    -20.300 -0.1737E-26 -0.1737E-26  0.3750E-02  0.3750E-02
    -20.200 -0.2719E-23 -0.2719E-23  0.3750E-02  0.3750E-02
    -20.099 -0.2546E-20 -0.2546E-20  0.3750E-02  0.3750E-02
    -19.998 -0.1426E-17 -0.1426E-17  0.3750E-02  0.3750E-02
    -19.897 -0.4615E-15 -0.4615E-15  0.3750E-02  0.3750E-02
    -19.796 -0.9138E-13 -0.9138E-13  0.3750E-02  0.3750E-02
    -19.695 -0.1073E-10 -0.1073E-10  0.3750E-02  0.3750E-02
    -19.595 -0.7447E-09 -0.7447E-09  0.3750E-02  0.3750E-02
    -19.494 -0.3030E-07 -0.3030E-07  0.3750E-02  0.3750E-02
    -19.393 -0.7141E-06 -0.7141E-06  0.3750E-02  0.3750E-02
    -19.292 -0.9529E-05 -0.9529E-05  0.3749E-02  0.3749E-02
    -19.191 -0.6845E-04 -0.6845E-04  0.3742E-02  0.3742E-02
    -19.090 -0.2272E-03 -0.2272E-03  0.3719E-02  0.3719E-02
    -18.990 -0.7028E-04 -0.7028E-04  0.3712E-02  0.3712E-02
    -18.889  0.1620E-02  0.1620E-02  0.3875E-02  0.3875E-02
    -18.788  0.4404E-02  0.4404E-02  0.4319E-02  0.4319E-02
    -18.687  0.4795E-02  0.4795E-02  0.4803E-02  0.4803E-02
    -18.586  0.2201E-02  0.2201E-02  0.5025E-02  0.5025E-02
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    -18.082 -0.1286E-05 -0.1286E-05  0.5000E-02  0.5000E-02
    -17.981 -0.6153E-07 -0.6153E-07  0.5000E-02  0.5000E-02
    -17.880 -0.1246E-07 -0.1246E-07  0.5000E-02  0.5000E-02
    -17.780 -0.2988E-06 -0.2988E-06  0.5000E-02  0.5000E-02
    -17.679 -0.4729E-05 -0.4729E-05  0.4999E-02  0.4999E-02
    -17.578 -0.4110E-04 -0.4110E-04  0.4995E-02  0.4995E-02
    -17.477 -0.1766E-03 -0.1766E-03  0.4978E-02  0.4978E-02
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    -17.275  0.9120E-03  0.9120E-03  0.5048E-02  0.5048E-02
    -17.175  0.3633E-02  0.3633E-02  0.5414E-02  0.5414E-02
    -17.074  0.4941E-02  0.4941E-02  0.5912E-02  0.5912E-02
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    -16.872  0.1061E-02  0.1061E-02  0.6303E-02  0.6303E-02
    -16.771  0.2730E-02  0.2730E-02  0.6578E-02  0.6578E-02
    -16.670  0.4716E-02  0.4716E-02  0.7054E-02  0.7054E-02
    -16.569  0.4301E-02  0.4301E-02  0.7488E-02  0.7488E-02
    -16.469  0.4273E-02  0.4273E-02  0.7919E-02  0.7919E-02
    -16.368  0.4883E-02  0.4883E-02  0.8411E-02  0.8411E-02
    -16.267  0.3159E-02  0.3159E-02  0.8730E-02  0.8730E-02
    -16.166  0.6442E-03  0.6442E-03  0.8794E-02  0.8794E-02
    -16.065 -0.2480E-03 -0.2480E-03  0.8769E-02  0.8769E-02
    -15.964 -0.1561E-03 -0.1561E-03  0.8754E-02  0.8754E-02
    -15.864 -0.3308E-04 -0.3308E-04  0.8750E-02  0.8750E-02
    -15.763 -0.3539E-05 -0.3539E-05  0.8750E-02  0.8750E-02
    -15.662 -0.2092E-06 -0.2092E-06  0.8750E-02  0.8750E-02
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    -15.158 -0.2488E-12 -0.2488E-12  0.8750E-02  0.8750E-02
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    -13.948  0.1639E-02  0.1639E-02  0.1004E-01  0.1004E-01
    -13.847 -0.6502E-04 -0.6502E-04  0.1003E-01  0.1003E-01
    -13.746 -0.2283E-03 -0.2283E-03  0.1001E-01  0.1001E-01
    -13.645 -0.6928E-04 -0.6928E-04  0.1000E-01  0.1000E-01
    -13.544 -0.1015E-04 -0.1015E-04  0.1000E-01  0.1000E-01
    -13.444 -0.7439E-05 -0.7439E-05  0.9999E-02  0.9999E-02
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    -13.242 -0.2024E-03 -0.2024E-03  0.9974E-02  0.9974E-02
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