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	hartrees
Energy at 0K	-474.029408
Energy at 298.15K	-474.031737
HF Energy	-473.574750
Nuclear repulsion energy	57.134139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3855	3684	76.60
2	A	2676	2558	10.27
3	A	1223	1169	44.36
4	A	1037	991	2.67
5	A	792	757	58.97
6	A	475	454	76.03

Atom	x (Å)	y (Å)	z (Å)
S1	-0.579	-0.089	0.010
O2	1.086	0.021	-0.117
H3	-0.856	1.227	0.009
H4	1.439	0.029	0.776

	S1	O2	H3	H4
S1		1.6737	1.3449	2.1624
O2	1.6737		2.2894	0.9606
H3	1.3449	2.2894		2.7003
H4	2.1624	0.9606	2.7003

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

using model chemistry: CCSD/aug-cc-pVTZ

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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