PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(ga(iii)f2.(me2n))(plus)r
3815 [Ga(III)F2.(Me2N)](+) (Geo)
(Previous)
(Back)
(Next)
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)](+)
<Ga-F> <><> <Ga-N> GR=PW91D
Ga 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.74992400 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.74539005 +1 131.9529811 +1 0.0000000 +0 1 2 0
N 1.95942200 +1 113.8717590 +1 -179.1631026 +1 1 2 3
C 1.42582107 +1 121.0699939 +1 174.7617953 +1 4 1 2
C 1.42658897 +1 120.4585822 +1 -179.4865668 +1 4 1 5
H 1.11504167 +1 114.4784083 +1 -158.0278744 +1 5 4 1
H 1.11781330 +1 113.2193050 +1 123.0659374 +1 5 4 7
H 1.12705542 +1 110.8726644 +1 117.9503100 +1 5 4 8
H 1.11412142 +1 114.6257631 +1 -168.1116931 +1 6 4 1
H 1.12003364 +1 112.6099858 +1 122.3071210 +1 6 4 10
H 1.12535168 +1 111.2998276 +1 117.6122133 +1 6 4 11