File: dimethylselenium.mop

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file content (30 lines) | stat: -rw-r--r-- 1,195 bytes parent folder | download | duplicates (3)
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*
*   -16.849
*
 SYMMETRY PM7
Dimethylselenium
 I=8.4 IR=LLNBS82 D=1.41 DR=MCC1974
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     5.00000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
 XX     5.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
  C     1.94533294 +1   49.3573098 +1    0.0000000 +0     1     2     3
  C     1.94533294 +0   49.3573098 +0  180.0000000 +0     1     2     3
 XX     5.00000000 +0  127.6000000 +0    0.0000000 +0     5     1     2
 XX     5.00000000 +0  127.6000000 +0    0.0000000 +0     4     1     2
  H     1.08514988 +1  105.6814320 +1  180.0000000 +0     4     1     5
  H     1.08514988 +0  105.6814320 +0  180.0000000 +0     5     1     4
  H     1.08258327 +1   55.1297463 +1   89.8443844 +1     4     7     1
  H     1.08258327 +0   55.1297463 +0  -89.8443844 +0     4     7     1
  H     1.08258327 +0   55.1297463 +0  -89.8443844 +0     5     6     1
  H     1.08258327 +0   55.1297463 +0   89.8443844 +0     5     6     1
 
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