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	hartrees
Energy at 0K	-474.009612
Energy at 298.15K	-474.011947
HF Energy	-473.567403
Nuclear repulsion energy	57.365899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3878	3698	79.16
2	A	2670	2547	10.81
3	A	1221	1164	45.41
4	A	1041	993	2.67
5	A	791	755	64.53
6	A	485	462	81.01

Atom	x (Å)	y (Å)	z (Å)
S1	-0.576	-0.089	0.010
O2	1.080	0.021	-0.117
H3	-0.859	1.223	0.008
H4	1.443	0.031	0.771

	S1	O2	H3	H4
S1		1.6650	1.3427	2.1613
O2	1.6650		2.2852	0.9592
H3	1.3427	2.2852		2.7026
H4	2.1613	0.9592	2.7026

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

using model chemistry: QCISD/6-311+G(3df,2p)

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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