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

sn(iv)n4c (wayyok)   5513 Sn(IV)N4C (WAYYOK)

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    #  Species Formula
  5503 EthyltrimethyltinC5H14Sn
  5504 PropyltrimethyltinC6H16Sn
  5505 t-ButyltrimethyltinC7H18Sn
  5506 TetraethyltinC8H20Sn
  5507 PhenyltrimethylstannaneC9H14Sn
  5508 TetraphenyltinC24H20Sn
  5509 Triphenyl phenylethynyl tinC26H20Sn
  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
  5520 Tin tetramethoxide (Geo)C4H12O4Sn
  5521 Tin tetramethoxideC4H12O4Sn
  5522 Sn(IV)O4C2 (ACDMSN) (Geo)C12H20O4Sn
  5523 Sn(IV)O4C2 (ACDMSN)C12H20O4Sn


ΔHf: 74.3 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Sn(IV)N4C (WAYYOK)
 H=74.3 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.65226871 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.08131559 +1   73.8862170 +1    0.0000000 +0     1     2     0
  C     2.14535580 +1  104.8995960 +1  179.0781359 +1     1     3     2
  N     2.07901032 +1   74.1001410 +1  120.0028539 +1     1     2     3
  C     1.46302138 +1  116.9327590 +1  -21.7862898 +1     3     1     2
  C     1.48208955 +1  105.8892582 +1   -5.9426552 +1     2     1     3
  C     2.46137566 +1   72.8117888 +1  138.2145993 +1     2     1     7
  C     1.48189395 +1  105.6716964 +1  -18.1995831 +1     2     1     8
  C     1.46295589 +1  116.7301391 +1  -21.7240204 +1     5     1     2
  C     1.48209134 +1  105.6365654 +1  119.9387685 +1     2     1     9
  C     1.39519089 +1  121.2193589 +1   46.0653095 +1     4     1     5
  C     1.39615392 +1  120.6839623 +1  179.7527448 +1    12     4     1
  C     1.39271679 +1  120.1519693 +1   -0.0178830 +1    13    12     4
  C     1.39323630 +1  119.5275181 +1    0.0043069 +1    14    13    12
  C     1.39545457 +1  120.1369424 +1   -0.0029051 +1    15    14    13
  H     1.11381600 +1  108.2101110 +1  -72.7221499 +1     6     3     1
  H     1.11144156 +1  109.9240689 +1 -115.8272095 +1     6     3    17
  H     1.10857801 +1  110.0947644 +1  -89.8027522 +1     7     2     1
  H     1.10504007 +1  113.1218305 +1 -119.4201169 +1     7     2    19
  H     1.11404714 +1   94.6390096 +1   92.7438892 +1     8     2     1
  H     1.11140706 +1  143.0258954 +1  125.4829784 +1     8     2    21
  H     1.10862404 +1  110.0467375 +1  -89.1320804 +1     9     2     1
  H     1.10507929 +1  113.1643720 +1 -119.4774451 +1     9     2    23
  H     1.11391781 +1  108.2329067 +1  -72.7115885 +1    10     5     1
  H     1.11151134 +1  109.8908619 +1 -115.8059675 +1    10     5    25
  H     1.10856548 +1  110.0982444 +1  -89.8481114 +1    11     2     1
  H     1.10507884 +1  113.1242370 +1 -119.3534651 +1    11     2    27
  H     1.08999754 +1  121.0879744 +1 -179.9543081 +1    12     4    13
  H     1.08591827 +1  119.9176818 +1 -179.9670081 +1    13    12    14
  H     1.08566026 +1  120.2568917 +1 -179.9812598 +1    14    13    15
  H     1.08594814 +1  119.9236581 +1 -179.9610907 +1    15    14    16
  H     1.09266013 +1  118.3687789 +1 -179.9440959 +1    16    15    14
  N     1.46247976 +1   90.9619230 +1  126.2126239 +1     8     2    22
  H     1.01180881 +1  113.4953267 +1  130.6736035 +1     3     1     6
  H     1.01080394 +1  114.0131597 +1  131.1645189 +1     5     1    10
  H     1.01098762 +1  110.8759906 +1 -111.8671683 +1    34     8     2