PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
h2so4r
2178 Sulfuric acid (Geo)
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REF: 6-31G(d) basis set using the B3LYP Density Functional
PM7
Sulfuric acid
GR=B3LYP <S-O> <S=O> <> <O-H> <S-O-H>
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.62800000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.44700000 +1 106.3407428 +1 0.0000000 +0 1 2 0
H 0.97000000 +1 107.9000000 +1 -16.6290253 +1 2 1 3
O 1.64081334 +1 98.6127011 +1 112.8537073 +1 1 2 3
H 0.97132230 +1 116.6959716 +1 88.9405038 +1 5 1 2
O 1.42895703 +1 109.0142880 +1 -136.1631361 +1 1 2 3