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	hartrees
Energy at 0K	-474.008695
Energy at 298.15K	-474.011032
HF Energy	-473.567470
Nuclear repulsion energy	57.402984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3885	3664	80.34
2	A	2673	2521	10.34
3	A	1224	1154	45.75
4	A	1043	984	2.84
5	A	794	749	64.69
6	A	485	457	81.42

Atom	x (Å)	y (Å)	z (Å)
S1	-0.576	-0.089	0.010
O2	1.079	0.021	-0.117
H3	-0.859	1.223	0.007
H4	1.443	0.033	0.770

	S1	O2	H3	H4
S1		1.6637	1.3424	2.1608
O2	1.6637		2.2842	0.9588
H3	1.3424	2.2842		2.7017
H4	2.1608	0.9588	2.7017

All results from a given calculation for HOSH (hydrogen thioperoxide)

using model chemistry: CCSD/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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