PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(ga(iii)f2.(me2n))(plus)
3814 [Ga(III)F2.(Me2N)](+)
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ΔHf: 60.1 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.
CHARGE=1 PM7
[Ga(III)F2.(Me2N)](+)
H=60.1 HR=PW91D
Ga 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.74587681 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.74578438 +1 132.2917003 +1 0.0000000 +0 1 2 0
N 1.92797364 +1 113.3745761 +1 -179.9686027 +1 1 2 3
C 1.42632987 +1 121.0736413 +1 176.6595584 +1 4 1 2
C 1.42709323 +1 120.4895967 +1 -179.9791936 +1 4 1 5
H 1.11558433 +1 114.2123065 +1 -156.9715031 +1 5 4 1
H 1.11727911 +1 113.3446519 +1 122.8614350 +1 5 4 7
H 1.12676676 +1 110.8008128 +1 118.2797287 +1 5 4 8
H 1.11434436 +1 114.4514873 +1 -168.6078345 +1 6 4 1
H 1.11988812 +1 112.6307338 +1 122.0989152 +1 6 4 10
H 1.12495922 +1 111.2519474 +1 117.8808350 +1 6 4 11