srDFT_G2/Ref/Inputs_G1/H2O2.g09_zmat

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2019-03-26 15:02:24 +01:00
0,1
O
O,1,AA
H,1,AH4,2,H4AA
H,2,AH4,1,H4AA,3,H4AAH8,0
AA=1.44582784
AH4=0.9672488
H4AA=100.44937014
H4AAH8=112.33679746