File: diethylselenium.mop

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file content (22 lines) | stat: -rw-r--r-- 1,159 bytes parent folder | download | duplicates (3)
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*
*   -25.115
*
 PM7
Diethylselenium
 H=-21.9 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51141987 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Se     1.97155728 +1  107.7262099 +1    0.0000000 +0     2     1     0
  C     1.97168308 +1   97.7289089 +1  178.3431131 +1     3     2     1
  C     1.51145034 +1  107.6811336 +1  178.3347478 +1     4     3     2
  H     1.09937379 +1  111.0534850 +1  179.3928300 +1     5     4     3
  H     1.09839159 +1  112.0464779 +1   59.8126604 +1     5     4     3
  H     1.09840115 +1  112.0125786 +1  -61.0313034 +1     5     4     3
  H     1.09272562 +1  107.6946043 +1   56.8553178 +1     4     3     2
  H     1.09279615 +1  107.6284632 +1  -60.2255225 +1     4     3     2
  H     1.09277113 +1  107.7024075 +1   56.8820682 +1     2     3     4
  H     1.09284021 +1  107.6189918 +1  -60.1834260 +1     2     3     4
  H     1.09932925 +1  111.0653030 +1  179.7673288 +1     1     2     3
  H     1.09838470 +1  112.0263962 +1   60.1921902 +1     1     2     3
  H     1.09841318 +1  112.0252923 +1  -60.6406506 +1     1     2     3