PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethoxy gallium
3799 Trimethoxy gallium
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ΔHf: -144.6 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
Trimethoxy gallium
H=-144.6 HR=PW91D
Ga 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.82428764 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.82521817 +1 127.1855954 +1 0.0000000 +0 1 2 0
O 1.82089348 +1 115.9889289 +1 -179.8168780 +1 1 2 3
C 1.39895476 +1 118.8015011 +1 1.6634127 +1 2 1 3
C 1.39617486 +1 119.9330166 +1 1.5785150 +1 3 1 2
C 1.40449755 +1 116.6083100 +1 -179.2249484 +1 4 1 2
H 1.09568732 +1 111.8172487 +1 62.6462097 +1 5 2 1
H 1.10360623 +1 102.8936587 +1 117.1848867 +1 5 2 8
H 1.09567292 +1 111.7934774 +1 117.1769299 +1 5 2 9
H 1.10291365 +1 103.3306979 +1 -179.7406364 +1 6 3 1
H 1.09598261 +1 111.6231789 +1 117.3571321 +1 6 3 11
H 1.09598673 +1 111.5695562 +1 125.2888056 +1 6 3 12
H 1.09600742 +1 111.9288125 +1 -60.1647025 +1 7 4 1
H 1.10219351 +1 102.8780615 +1 -117.8298308 +1 7 4 14
H 1.09632793 +1 111.4636351 +1 -117.5760664 +1 7 4 15