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	hartrees
Energy at 0K	-473.914049
Energy at 298.15K	-473.916338
HF Energy	-473.536379
Nuclear repulsion energy	55.920516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3809	3809	66.37
2	A	2661	2661	12.33
3	A	1214	1214	40.47
4	A	999	999	1.80
5	A	754	754	47.19
6	A	450	450	73.94

Atom	x (Å)	y (Å)	z (Å)
S1	-0.595	-0.090	0.008
O2	1.114	0.023	-0.118
H3	-0.856	1.244	0.025
H4	1.455	0.002	0.787

	S1	O2	H3	H4
S1		1.7175	1.3591	2.1947
O2	1.7175		2.3220	0.9671
H3	1.3591	2.3220		2.7314
H4	2.1947	0.9671	2.7314

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

using model chemistry: QCISD/daug-cc-pVDZ

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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