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	hartrees
Energy at 0K	-473.918107
Energy at 298.15K	-473.920410
HF Energy	-473.537041
Nuclear repulsion energy	56.205620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3882	78.25
2	A	2700	2700	10.12
3	A	1226	1226	43.09
4	A	1014	1014	2.56
5	A	772	772	46.99
6	A	455	455	77.04

Atom	x (Å)	y (Å)	z (Å)
S1	-0.591	-0.089	0.008
O2	1.108	0.023	-0.117
H3	-0.855	1.239	0.022
H4	1.451	0.008	0.782

	S1	O2	H3	H4
S1		1.7079	1.3546	2.1861
O2	1.7079		2.3135	0.9625
H3	1.3546	2.3135		2.7221
H4	2.1861	0.9625	2.7221

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

using model chemistry: MP3=FULL/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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