File: v2br4.mop

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mopac 22.0.6%2Bdfsg-1
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file content (13 lines) | stat: -rw-r--r-- 496 bytes parent folder | download | duplicates (2) 
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*
*   -29.324
*
 UHF PM7
V2Br4
 H=-27.3 HR=PW91D
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  V     2.25494222 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.52273915 +1   99.2342109 +1    0.0000000 +0     2     1     0
 Br     2.38163311 +1  167.8758417 +1 -179.8235330 +1     2     1     3
  V     2.38311430 +1   87.0623801 +1 -179.3793682 +1     3     2     1
 Br     2.25552199 +1  168.2990597 +1  179.1013395 +1     5     3     2