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	hartrees
Energy at 0K	-468.830561
Energy at 298.15K	-468.832701
HF Energy	-468.805356
Nuclear repulsion energy	54.984426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3710	3710	54.77
2	A	2942	2942	43.32
3	A	1406	1406	10.58
4	A	1094	1094	13.56
5	A	875	875	1.74
6	A	331	331	40.69

Atom	x (Å)	y (Å)	z (Å)
S1	-0.604	-0.090	-0.002
O2	1.133	0.047	-0.120
H3	-0.823	1.249	0.157
H4	1.427	-0.184	0.838

	S1	O2	H3	H4
S1		1.7459	1.3657	2.2002
O2	1.7459		2.3122	1.0282
H3	1.3657	2.3122		2.7535
H4	2.2002	1.0282	2.7535

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

using model chemistry: B2PLYP=FULL/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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