File: dimethoxyborane.mop

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file content (19 lines) | stat: -rw-r--r-- 944 bytes parent folder | download | duplicates (2)
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*
*  -131.589
*
 PM7
Dimethoxyborane
 H=-138.4 HR=HLKS1979
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.41119318 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.41208303 +1  111.8019805 +1    0.0000000 +0     1     2     0
  H     1.17966142 +1  124.3129348 +1  179.9967103 +1     1     2     3
  C     1.40541933 +1  117.6196833 +1 -179.9496393 +1     2     1     3
  C     1.40539525 +1  117.5684715 +1  179.9318785 +1     3     1     2
  H     1.09631808 +1  111.3869148 +1  -61.8886325 +1     5     2     1
  H     1.09632693 +1  111.3434363 +1   62.2829653 +1     5     2     1
  H     1.10166330 +1  103.7253492 +1 -179.8144850 +1     5     2     1
  H     1.09637619 +1  111.2884492 +1  -62.9168841 +1     6     3     1
  H     1.09628621 +1  111.4509246 +1   61.2635953 +1     6     3     1
  H     1.10163937 +1  103.7319335 +1  179.2115322 +1     6     3     1