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	hartrees
Energy at 0K	-471.486326
Energy at 298.15K	-471.488671
HF Energy	-471.231798
Nuclear repulsion energy	56.106952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3454	3274	15.09
2	A	2721	2580	37.99
3	A	1272	1206	41.51
4	A	1035	981	6.03
5	A	744	706	24.24
6	A	526	498	103.77

Atom	x (Å)	y (Å)	z (Å)
S1	-0.588	-0.090	0.010
O2	1.107	0.024	-0.122
H3	-0.923	1.211	0.006
H4	1.476	0.039	0.803

	S1	O2	H3	H4
S1		1.7040	1.3441	2.2151
O2	1.7040		2.3554	0.9965
H3	1.3441	2.3554		2.7870
H4	2.2151	0.9965	2.7870

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

using model chemistry: MP2=FULL/3-21G*

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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