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	hartrees
Energy at 0K	-474.176246
Energy at 298.15K	-474.178577
HF Energy	-473.567289
Nuclear repulsion energy	57.374251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3621	94.90
2	A	2717	2561	6.74
3	A	1199	1131	42.30
4	A	1041	981	2.29
5	A	785	740	67.31
6	A	484	456	80.92

Atom	x (Å)	y (Å)	z (Å)
S1	-0.576	-0.089	0.009
O2	1.081	0.022	-0.118
H3	-0.859	1.219	0.013
H4	1.437	0.023	0.776

	S1	O2	H3	H4
S1		1.6655	1.3379	2.1573
O2	1.6655		2.2824	0.9619
H3	1.3379	2.2824		2.6983
H4	2.1573	0.9619	2.6983

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

using model chemistry: MP2=FULL/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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