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	hartrees
Energy at 0K	-474.429118
Energy at 298.15K	-474.431421
HF Energy	-474.301055
Nuclear repulsion energy	56.396567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3809	3635	67.30
2	A	2655	2534	21.78
3	A	1174	1120	37.95
4	A	1022	976	2.37
5	A	752	718	49.26
6	A	473	451	98.77

Atom	x (Å)	y (Å)	z (Å)
S1	-0.588	-0.090	0.008
O2	1.104	0.026	-0.117
H3	-0.862	1.233	0.032
H4	1.447	-0.006	0.783

	S1	O2	H3	H4
S1		1.7006	1.3510	2.1802
O2	1.7006		2.3116	0.9643
H3	1.3510	2.3116		2.7262
H4	2.1802	0.9643	2.7262

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

using model chemistry: B2PLYP=FULL/TZVP

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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