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	hartrees
Energy at 0K	-474.195092
Energy at 298.15K	-474.197431
HF Energy	-473.567640
Nuclear repulsion energy	57.500018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3892	3892	81.61
2	A	2677	2677	10.36
3	A	1223	1223	46.26
4	A	1047	1047	2.88
5	A	798	798	66.00
6	A	486	486	81.94

Atom	x (Å)	y (Å)	z (Å)
S1	-0.575	-0.089	0.010
O2	1.077	0.021	-0.117
H3	-0.858	1.222	0.007
H4	1.443	0.033	0.768

	S1	O2	H3	H4
S1		1.6605	1.3409	2.1588
O2	1.6605		2.2807	0.9577
H3	1.3409	2.2807		2.6992
H4	2.1588	0.9577	2.6992

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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