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	hartrees
Energy at 0K	-473.804817
Energy at 298.15K	-473.807165
HF Energy	-473.488070
Nuclear repulsion energy	56.625827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3525	67.62
2	A	2737	2579	38.83
3	A	1268	1195	49.97
4	A	1037	977	3.69
5	A	785	740	47.01
6	A	513	484	103.96

Atom	x (Å)	y (Å)	z (Å)
S1	-0.584	-0.090	0.007
O2	1.097	0.029	-0.118
H3	-0.877	1.223	0.040
H4	1.443	-0.014	0.792

	S1	O2	H3	H4
S1		1.6903	1.3456	2.1745
O2	1.6903		2.3130	0.9746
H3	1.3456	2.3130		2.7344
H4	2.1745	0.9746	2.7344

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

using model chemistry: MP2=FULL/6-31G*

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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