File: h6si2o7.mop

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file content (22 lines) | stat: -rw-r--r-- 1,150 bytes parent folder | download | duplicates (2)
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*
*  -544.018
*
 PM7
H6Si2O7
 H=-550 HR=PW91D
 Si     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.57202032 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Si     1.57250743 +1  177.8234371 +1    0.0000000 +0     2     1     0
  O     1.58350041 +1  110.3109224 +1  -54.8981579 +1     3     2     1
  O     1.58368363 +1  110.1016229 +1  119.9707294 +1     3     2     4
  O     1.58333442 +1  110.0163413 +1  120.0225053 +1     3     2     5
  O     1.58378265 +1  110.1377134 +1 -123.4064388 +1     1     2     4
  O     1.58349878 +1  110.3995820 +1  120.0075982 +1     1     2     7
  O     1.58368918 +1  109.8125364 +1  120.0789097 +1     1     2     8
  H     0.95929746 +1  128.2914887 +1   76.7108213 +1     4     3     2
  H     0.95837453 +1  128.3690382 +1   72.6241191 +1     5     3     2
  H     0.95911036 +1  128.1666023 +1   76.5291801 +1     6     3     2
  H     0.95901739 +1  128.2818197 +1   79.2827132 +1     7     1     2
  H     0.95867627 +1  128.3320010 +1   73.7955264 +1     8     1     2
  H     0.95889963 +1  128.1818779 +1   76.5195458 +1     9     1     2