File: methane.mop

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  SYMMETRY NOLOG
Methane
 I=13.6 H=-17.89,0.07 HR=C&P1970 IR=TBBB1970 TYPE=1
  H         0.00000000  0    0.0000000  0    0.0000000  0                      0.1878
  C         1.07566097  1    0.0000000  0    0.0000000  0    1    0    0      -0.7513
  H         1.07566097  0  109.4712210  0    0.0000000  0    2    1    0       0.1878
  H         1.07566097  0  109.4712210  0 -120.0000000  0    2    1    3       0.1878
  H         1.07566097  0  109.4712210  0  120.0000000  0    2    1    3       0.1878
 
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