PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

petnr   1472 Pentaerythritol tetranitrate (Geo)

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    #  Species Formula
  1462 2,4,6-TrinitrophenetoleC8H7N3O7
  1463 Be(II)O4(2-) (MALBEK) (Geo)H4BeC6O8
  1464 Be(II)O4(2-) (MALBEK)H4BeC6O8
  1465 TetraethylpyromellitateC18H22O8
  1466 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8
  1467 Beryllium (EDTA) (Geo)H12BeC10N2O8
  1468 Beryllium (EDTA)H12BeC10N2O8
  1469 TetranitromethaneCN4O8
  1470 Glycerol trinitrateC3H5N3O9
  1471 Pentaerythritol tetranitrateC5H8N4O12
  1472 Pentaerythritol tetranitrate (Geo) C5H8N4O12
  1473 HexanitroethaneC2N6O12
  1474 Bis(2,2,2-trinitroethyl)-amineC4H5N7O12
  1475 Fluorine, cationF
  1476 Fluorine, 2S(g) 2s(1)2p(6)F
  1477 Fluorine, atomF
  1478 Fluoride, anionF
  1479 Hydrogen fluoride (Geo)HF
  1480 Hydrogen fluorideHF
  1481 Helium fluoride anion (Geo)HeF
  1482 Lithium fluoride (Geo)LiF


REF: No reference available, but data are consistent with other data.
  
 PM7
Pentaerythritol tetranitrate
 <C-C><C-O><C-C-O><C-H><><><O-N><N-O-C> <> <N-O> <> <> <N-O> <O-N-O> GR=DUMMY
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.43400000 +1  107.5000000 +1    0.0000000 +0     2     1     0
  H     1.03000000 +1  113.3573522 +1 -125.8333021 +1     2     1     3
  N     1.39700000 +1  115.9000000 +1 -111.1765267 +1     3     2     1
  O     1.22200000 +1  106.5582114 +1  176.7782693 +1     5     3     2
  O     1.20700000 +1  128.8000000 +1  179.6602855 +1     5     3     6
  C     1.53994774 +1  111.1476022 +1   68.1056005 +1     1     2     3
  H     1.10778497 +1  112.4064873 +1  178.8915181 +1     8     1     2
  C     1.54086359 +1  107.9250273 +1 -171.3240635 +1     1     2     3
  C     1.54100336 +1  110.0713858 +1  -51.0371648 +1     1     2     3
  O     1.42942103 +1  103.1323445 +1   61.9556503 +1     8     1     2
  H     1.10553530 +1  112.3648608 +1  -57.6766659 +1     8     1     2
  H     1.11756776 +1  111.3041141 +1  110.9437826 +1     2     1     3
  H     1.10773413 +1  112.4134554 +1  -63.3663014 +1    10     1     2
  O     1.43181032 +1  103.0923705 +1  178.4316026 +1    10     1     2
  H     1.10690678 +1  112.4608690 +1   60.5267018 +1    10     1     2
  H     1.10707886 +1  112.5334216 +1   58.1488872 +1    11     1     2
  O     1.43167084 +1  102.9604173 +1  -59.6614355 +1    11     1     2
  H     1.10742316 +1  112.4040593 +1 -177.8978096 +1    11     1     2
  N     1.41463716 +1  114.9303343 +1 -167.9872017 +1    12     8     1
  O     1.20404201 +1  116.8453447 +1   -0.8121825 +1    21    12     8
  O     1.19840946 +1  111.4654928 +1  179.6038637 +1    21    12     8
  N     1.41138050 +1  114.5408741 +1  178.5638153 +1    16    10     1
  O     1.20430706 +1  117.0130544 +1    0.5135318 +1    24    16    10
  O     1.19978313 +1  111.6152237 +1 -179.5768122 +1    24    16    10
  N     1.41206582 +1  114.6105074 +1 -177.5361001 +1    19    11     1
  O     1.20382795 +1  116.9844564 +1    0.3498139 +1    27    19    11
  O     1.19977556 +1  111.5510725 +1 -179.7334241 +1    27    19    11