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	hartrees
Energy at 0K	-473.965301
Energy at 298.15K	-473.967665
HF Energy	-473.568212
Nuclear repulsion energy	57.889070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4000	3696	98.41
2	A	2758	2548	8.53
3	A	1246	1151	51.69
4	A	1078	996	4.11
5	A	835	771	73.42
6	A	494	456	85.80

Atom	x (Å)	y (Å)	z (Å)
S1	-0.571	-0.089	0.010
O2	1.069	0.021	-0.116
H3	-0.857	1.215	0.004
H4	1.442	0.038	0.759

	S1	O2	H3	H4
S1		1.6482	1.3341	2.1512
O2	1.6482		2.2687	0.9516
H3	1.3341	2.2687		2.6902
H4	2.1512	0.9516	2.6902

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

using model chemistry: CID/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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