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	hartrees
Energy at 0K	-468.192252
Energy at 298.15K	-468.194392
HF Energy	-468.123451
Nuclear repulsion energy	55.248574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3789	3303	56.26
2	A	3024	2637	38.27
3	A	1444	1259	9.93
4	A	1125	981	16.43
5	A	895	780	1.20
6	A	319	278	40.41

Atom	x (Å)	y (Å)	z (Å)
S1	-0.601	-0.089	-0.002
O2	1.127	0.045	-0.120
H3	-0.817	1.243	0.151
H4	1.419	-0.176	0.836

	S1	O2	H3	H4
S1		1.7378	1.3585	2.1885
O2	1.7378		2.3002	1.0236
H3	1.3585	2.3002		2.7356
H4	2.1885	1.0236	2.7356

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

using model chemistry: MP2/STO-3G

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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