PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(geme3)2r
3955 Hexaethyl digermane (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.
PM7
Hexaethyl digermane
<Ge-Ge> <Ge-C> GR=PW91D
Ge 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 2.48729300 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.00692800 +1 106.4919278 +1 0.0000000 +0 1 2 0
C 1.95408910 +1 107.1022186 +1 119.2912661 +1 1 2 3
C 1.95508625 +1 106.7825557 +1 121.2388363 +1 1 2 4
C 1.96002017 +1 106.6393287 +1 58.7310143 +1 2 1 3
C 1.96054783 +1 106.2640880 +1 119.9142326 +1 2 1 6
C 1.95975250 +1 106.9222957 +1 119.9081431 +1 2 1 7
H 1.09646752 +1 106.1319722 +1 -80.5837057 +1 3 1 2
H 1.09694658 +1 106.1564799 +1 115.3106438 +1 3 1 9
C 1.50801923 +1 110.4673821 +1 122.2192195 +1 3 1 10
H 1.09933451 +1 107.0594502 +1 -80.6398743 +1 4 1 2
H 1.09994327 +1 106.9815393 +1 115.0745801 +1 4 1 12
C 1.51146399 +1 111.1392695 +1 122.2269882 +1 4 1 13
H 1.09972950 +1 107.0372709 +1 34.6991929 +1 5 1 2
H 1.09956863 +1 106.9300689 +1 -115.0810483 +1 5 1 15
C 1.51149918 +1 111.2212437 +1 -122.5751071 +1 5 1 16
H 1.09915102 +1 106.9153321 +1 80.0882386 +1 6 2 1
H 1.09937888 +1 106.9224330 +1 -115.1371000 +1 6 2 18
C 1.51117201 +1 111.0079982 +1 -122.2957408 +1 6 2 19
H 1.09935367 +1 106.9915450 +1 -33.3886766 +1 7 2 1
H 1.09931569 +1 106.8043574 +1 115.0115110 +1 7 2 21
C 1.51096805 +1 111.0647984 +1 122.5480339 +1 7 2 22
H 1.09933205 +1 106.9692001 +1 -33.8493208 +1 8 2 1
H 1.09920317 +1 106.9209364 +1 115.0917177 +1 8 2 24
C 1.51107549 +1 110.9873290 +1 122.5763985 +1 8 2 25
H 1.09927244 +1 110.9956082 +1 178.9507170 +1 11 3 1
H 1.09828170 +1 112.0505052 +1 119.7148786 +1 11 3 27
H 1.09806729 +1 112.1541933 +1 120.6377533 +1 11 3 28
H 1.09885263 +1 110.9318898 +1 178.9949727 +1 14 4 1
H 1.09807048 +1 112.0060754 +1 119.6599257 +1 14 4 30
H 1.09777897 +1 112.1235205 +1 120.7008427 +1 14 4 31
H 1.09889978 +1 110.9354917 +1 178.8857826 +1 17 5 1
H 1.09776926 +1 112.1110152 +1 -119.6393725 +1 17 5 33
H 1.09804658 +1 112.0164102 +1 -120.7400311 +1 17 5 34
H 1.09810115 +1 112.0393385 +1 60.4782227 +1 20 6 2
H 1.09783639 +1 112.0800272 +1 -120.6422256 +1 20 6 36
H 1.09894729 +1 110.9453983 +1 -119.6768274 +1 20 6 37
H 1.09787878 +1 112.0818850 +1 -59.4476796 +1 23 7 2
H 1.09815452 +1 112.0094057 +1 120.6124012 +1 23 7 39
H 1.09888568 +1 110.9539349 +1 119.6605479 +1 23 7 40
H 1.09788041 +1 112.0926164 +1 -59.9360977 +1 26 8 2
H 1.09816419 +1 112.0327882 +1 120.6337000 +1 26 8 42
H 1.09889044 +1 110.9506891 +1 119.6548822 +1 26 8 43