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	hartrees
Energy at 0K	-474.013287
Energy at 298.15K	-474.015632
HF Energy	-473.571904
Nuclear repulsion energy	57.333599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3930	3713	81.50
2	A	2700	2551	13.06
3	A	1250	1181	43.43
4	A	1048	990	3.20
5	A	805	761	51.99
6	A	486	459	79.01

Atom	x (Å)	y (Å)	z (Å)
S1	-0.577	-0.089	0.010
O2	1.083	0.020	-0.117
H3	-0.859	1.223	0.003
H4	1.426	0.038	0.776

	S1	O2	H3	H4
S1		1.6680	1.3423	2.1476
O2	1.6680		2.2872	0.9561
H3	1.3423	2.2872		2.6870
H4	2.1476	0.9561	2.6870

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

using model chemistry: MP3/cc-pVTZ

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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