PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(iv)n4c (wayyok)
5513 Sn(IV)N4C (WAYYOK)
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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