PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
po(ocn)3
2007 PO(OCN)3
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ΔHf: -161.8 kcal/mol, REF: P. Winget, et.al., Theor. Chim. Acta. 110, 254, (2003)
PM7
PO(OCN)3
H=-161.8 HR=PWEA2003
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.43975858 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.65711489 +1 115.0094502 +1 0.0000000 +0 1 2 0
N 1.65860977 +1 115.0767903 +1 120.0105498 +1 1 2 3
N 1.65883005 +1 115.4070085 +1 119.8629043 +1 1 2 4
C 1.23923866 +1 131.5030030 +1 -91.2742366 +1 3 1 2
C 1.23883979 +1 131.4137710 +1 -84.3676723 +1 4 1 2
C 1.23951430 +1 131.0485933 +1 -83.5401732 +1 5 1 2
O 1.17088233 +1 167.8896449 +1 179.0661879 +1 6 3 1
O 1.17093541 +1 167.9053585 +1 -179.6307901 +1 7 4 1
O 1.17075816 +1 167.8837355 +1 179.9183758 +1 8 5 1