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

triphenyl phenylethynyl tin   5509 Triphenyl phenylethynyl tin

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    #  Species Formula
  5499 Trimethyltin hydrideC3H10Sn
  5500 Diethyltin dihydrideC4H12Sn
  5501 Tetramethyltin (Geo)C4H12Sn
  5502 TetramethyltinC4H12Sn
  5503 EthyltrimethyltinC5H14Sn
  5504 PropyltrimethyltinC6H16Sn
  5505 t-ButyltrimethyltinC7H18Sn
  5506 TetraethyltinC8H20Sn
  5507 PhenyltrimethylstannaneC9H14Sn
  5508 TetraphenyltinC24H20Sn
  5509 Triphenyl phenylethynyl tin C26H20Sn
  5510 DimethylaminetrimethyltinC5H15NSn
  5511 Sn(Et)3(NEt2)C10H25NSn
  5512 Sn(IV)N4C (WAYYOK) (Geo)C12H20N4Sn
  5513 Sn(IV)N4C (WAYYOK)C12H20N4Sn
  5514 Sn(II)N4 (VURFUJ) (Geo)C22H22N4Sn
  5515 Sn(II)N4 (VURFUJ)C22H22N4Sn
  5516 Sn(IV)(En)3C6H24N6Sn
  5517 Sn(IV)(En)3 (Geo)C6H24N6Sn
  5518 Tin oxide (Geo)OSn
  5519 Tin oxideOSn


ΔHf: 176.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PULAY PM7
Triphenyl phenylethynyl tin
 H=176.1 HR=NIST
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     3.25430045 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.13659826 +1  109.6569402 +1    0.0000000 +0     1     2     0
  C     1.40839702 +1  179.8160644 +1   93.7388811 +1     2     1     3
  C     2.13581543 +1  109.0516880 +1 -120.3009794 +1     1     3     2
  C     2.13580915 +1  109.5197856 +1 -120.1672125 +1     1     3     5
  C     1.39582385 +1  120.7770709 +1   81.4898934 +1     6     1     3
  C     1.39556527 +1  120.9387767 +1 -179.6248718 +1     7     6     1
  C     1.39265324 +1  120.1213575 +1   -0.0328749 +1     8     7     6
  C     1.39275040 +1  119.4587561 +1   -0.0891562 +1     9     8     7
  C     1.39606001 +1  120.8027807 +1  -98.3325062 +1     6     1     3
  C     1.39582722 +1  120.8380116 +1  134.8027547 +1     3     1     5
  C     1.39549459 +1  120.9475553 +1 -179.6834003 +1    12     3     1
  C     1.39271225 +1  120.1130754 +1    0.0019542 +1    13    12     3
  C     1.39265911 +1  119.4679367 +1   -0.0124518 +1    14    13    12
  C     1.39597259 +1  120.7475122 +1  -44.9058334 +1     3     1     5
  C     1.40096761 +1  120.1584126 +1 -131.9761585 +1     4     2    11
  C     1.39156038 +1  119.9289146 +1 -179.9797109 +1    17     4     2
  C     1.39430671 +1  120.1300663 +1    0.0238393 +1    18    17     4
  C     1.39424912 +1  120.0855539 +1   -0.0047420 +1    19    18    17
  C     1.40116205 +1  120.0431508 +1 -179.9598620 +1     4     2    17
  C     1.39608511 +1  120.5984659 +1  -19.7066164 +1     5     1     3
  C     1.39524505 +1  120.9626094 +1 -179.6693198 +1    22     5     1
  C     1.39274303 +1  120.1070304 +1    0.0513993 +1    23    22     5
  C     1.39265624 +1  119.4572945 +1   -0.0613418 +1    24    23    22
  C     1.39572297 +1  120.9879854 +1  160.6087540 +1     5     1     3
  C     2.03959963 +1  109.6699598 +1 -104.9668241 +1     1     3    12
  H     1.09110895 +1  121.2371130 +1    0.5794145 +1     7     6     1
  H     1.08678617 +1  119.9878881 +1 -179.9805127 +1     8     7     6
  H     1.08665555 +1  120.2790068 +1  179.9901473 +1     9     8     7
  H     1.08677283 +1  119.8623539 +1 -179.8961772 +1    10     9     8
  H     1.09151464 +1  121.1876693 +1   -0.4956728 +1    11     6     1
  H     1.09148172 +1  121.1652731 +1    0.1937277 +1    12     3     1
  H     1.08686917 +1  119.9956011 +1 -179.9961987 +1    13    12     3
  H     1.08667452 +1  120.2691839 +1 -179.9942385 +1    14    13    12
  H     1.08677129 +1  119.8843237 +1 -179.9707331 +1    15    14    13
  H     1.09106602 +1  121.2446618 +1   -0.3905584 +1    16     3     1
  H     1.08876402 +1  119.6569356 +1    0.0280130 +1    17     4     2
  H     1.08894369 +1  119.8973514 +1 -179.9927308 +1    18    17     4
  H     1.08839690 +1  119.9590605 +1  179.9872025 +1    19    18    17
  H     1.08884244 +1  119.9709561 +1  179.9725653 +1    20    19    18
  H     1.08850232 +1  119.6801036 +1   -0.0129810 +1    21     4     2
  H     1.09157244 +1  121.1879936 +1    0.4642921 +1    22     5     1
  H     1.08671078 +1  120.0107830 +1 -179.9527076 +1    23    22     5
  H     1.08661285 +1  120.2885717 +1  179.9655783 +1    24    23    22
  H     1.08684082 +1  119.8685746 +1 -179.9803466 +1    25    24    23
  H     1.09107928 +1  121.2263580 +1   -0.4623444 +1    26     5     1