PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tetraethoxygermanium
3888 Tetraethoxygermanium
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ΔHf: -230.8 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
Tetraethoxygermanium
H=-230.8 HR=PW91D
Ge 0.01459178 +1 0.01608114 +1 0.02418827 +1
O 1.69445209 +1 0.02742881 +1 0.08110108 +1
C 2.39734906 +1 1.19874685 +1 -0.22541569 +1
O -0.63049479 +1 -1.09125569 +1 1.11446056 +1
C -0.19306391 +1 -1.17776005 +1 2.43265277 +1
O -0.42740487 +1 1.60879306 +1 0.34527564 +1
C -1.68502657 +1 2.12040925 +1 0.04459523 +1
O -0.56404240 +1 -0.49444659 +1 -1.46925410 +1
C -0.46324097 +1 -1.85212341 +1 -1.80673194 +1
H 1.83001426 +1 1.83993140 +1 -0.92731598 +1
H 2.54301228 +1 1.74371004 +1 0.72776671 +1
C 3.72281144 +1 0.73274474 +1 -0.83505263 +1
C 1.19055641 +1 -1.82091359 +1 2.50063433 +1
H -0.20850566 +1 -0.17749911 +1 2.90677311 +1
H -0.97193725 +1 -1.82002991 +1 2.89851618 +1
H -2.46358047 +1 1.52936443 +1 0.56441992 +1
H -1.63315038 +1 3.13983463 +1 0.48570727 +1
C -1.91858483 +1 2.16664473 +1 -1.46346485 +1
H 0.60677789 +1 -2.12110517 +1 -1.89715916 +1
H -0.93917814 +1 -2.47062147 +1 -1.02014877 +1
C -1.19951489 +1 -1.97322985 +1 -3.14449739 +1
H 4.40845449 +1 1.57111345 +1 -0.97897546 +1
H 3.55508128 +1 0.24682652 +1 -1.80314482 +1
H 4.20716045 +1 -0.00679012 +1 -0.18589855 +1
H 1.18869468 +1 -2.80380811 +1 2.01659624 +1
H 1.53425631 +1 -1.93880373 +1 3.52991971 +1
H 1.93183708 +1 -1.20707944 +1 1.96105587 +1
H -1.07012637 +1 2.63582749 +1 -1.97560077 +1
H -2.01015792 +1 1.14990423 +1 -1.88085323 +1
H -2.82629048 +1 2.71822565 +1 -1.71620350 +1
H -0.72631310 +1 -1.34460075 +1 -3.90785497 +1
H -1.20506504 +1 -3.00745688 +1 -3.49767627 +1
H -2.23731851 +1 -1.63313664 +1 -3.04604702 +1