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	hartrees
Energy at 0K	-474.481274
Energy at 298.15K	-474.483587
HF Energy	-474.322647
Nuclear repulsion energy	56.937841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3805	3650	79.30
2	A	2656	2548	10.36
3	A	1201	1152	42.32
4	A	1023	981	1.81
5	A	768	736	59.00
6	A	471	452	75.05

Atom	x (Å)	y (Å)	z (Å)
S1	-0.582	-0.089	0.009
O2	1.090	0.022	-0.118
H3	-0.862	1.227	0.014
H4	1.445	0.022	0.778

	S1	O2	H3	H4
S1		1.6803	1.3460	2.1698
O2	1.6803		2.2977	0.9629
H3	1.3460	2.2977		2.7121
H4	2.1698	0.9629	2.7121

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

using model chemistry: B2PLYP=FULL/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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