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	hartrees
Energy at 0K	-471.308328
Energy at 298.15K	-471.310541
HF Energy	-471.111428
Nuclear repulsion energy	53.749105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3439	3343	5.93
2	A	2342	2277	67.10
3	A	1268	1233	38.23
4	A	929	903	2.53
5	A	677	658	4.57
6	A	421	410	107.00

Atom	x (Å)	y (Å)	z (Å)
S1	-0.620	-0.093	0.000
O2	1.167	0.046	-0.117
H3	-0.919	1.252	0.123
H4	1.501	-0.136	0.805

	S1	O2	H3	H4
S1		1.7957	1.3835	2.2687
O2	1.7957		2.4212	0.9976
H3	1.3835	2.4212		2.8724
H4	2.2687	0.9976	2.8724

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

using model chemistry: CCD/3-21G

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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