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	hartrees
Energy at 0K	-473.975556
Energy at 298.15K	-473.977921
HF Energy	-473.572353
Nuclear repulsion energy	57.634444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3977	3697	88.19
2	A	2751	2558	13.74
3	A	1259	1171	46.30
4	A	1071	996	3.72
5	A	832	773	60.42
6	A	494	460	81.60

Atom	x (Å)	y (Å)	z (Å)
S1	-0.574	-0.089	0.010
O2	1.076	0.019	-0.117
H3	-0.860	1.217	-0.002
H4	1.429	0.046	0.768

	S1	O2	H3	H4
S1		1.6579	1.3369	2.1451
O2	1.6579		2.2791	0.9528
H3	1.3369	2.2791		2.6837
H4	2.1451	0.9528	2.6837

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

using model chemistry: CISD/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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