PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
v(v)mebrclfir
5959 V(V)(CH3)BrClFI (Geo)
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REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
PULAY PM7
V(V)(CH3)BrClFI
<V-F> <V-Cl><> <V-Br><><> <V-I><><> <V-C> GR=B88_LYP
V 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.75600000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.21300000 +1 101.6292988 +1 0.0000000 +0 1 2 0
Br 2.41400000 +1 100.0659702 +1 -103.5734160 +1 1 2 3
I 2.66800000 +1 154.6028578 +1 127.6275221 +1 1 2 3
C 2.13600000 +1 102.2837958 +1 148.8956978 +1 1 2 3
H 1.10736613 +1 176.5309016 +1 69.4108536 +1 6 1 2
H 1.15729197 +1 71.7896120 +1 70.7484591 +1 6 1 2
H 1.14257019 +1 77.2749737 +1 -51.7536116 +1 6 1 2