Accuracy
hg(ii)o2 (hgacet10) r
7905 Hg(II)O2 (HGACET10) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
PM7
Hg(II)O2 (HGACET10)
<Hg-O> GR=CCDC
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.06305200 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.64563069 +1 152.6491356 +1 0.0000000 +0 1 2 0
C 1.48192970 +1 179.9961067 +1 53.1122181 +1 3 1 2
O 2.17064028 +1 65.0398768 +1 -179.6473968 +1 2 1 3
O 1.27362165 +1 57.7825072 +1 37.0924051 +1 3 1 4
O 1.27389491 +1 57.7935729 +1 -179.8006987 +1 3 1 6
H 2.77930705 +1 77.5793250 +1 160.8569774 +1 5 2 1
H 1.76547702 +1 70.7360109 +1 86.5493733 +1 8 5 2
H 1.78642824 +1 90.8283128 +1 -57.8535986 +1 8 5 9
H 1.10278929 +1 110.8107624 +1 -76.7334812 +1 4 3 1
H 1.10163940 +1 111.5428031 +1 119.9904399 +1 4 3 11
H 1.10261461 +1 111.1241649 +1 120.8103154 +1 4 3 12
C 1.26394759 +1 33.0907936 +1 19.0992259 +1 5 2 8
C 1.10312579 +1 59.7820995 +1 19.4266205 +1 8 5 10