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	hartrees
Energy at 0K	-474.193957
Energy at 298.15K	-474.196304
HF Energy	-473.572521
Nuclear repulsion energy	57.526635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3878	3878	75.84
2	A	2701	2701	13.92
3	A	1238	1238	42.89
4	A	1057	1057	3.12
5	A	806	806	61.13
6	A	491	491	79.30

Atom	x (Å)	y (Å)	z (Å)
S1	-0.575	-0.089	0.010
O2	1.078	0.020	-0.117
H3	-0.856	1.219	0.000
H4	1.429	0.042	0.773

	S1	O2	H3	H4
S1		1.6609	1.3379	2.1480
O2	1.6609		2.2789	0.9576
H3	1.3379	2.2789		2.6843
H4	2.1480	0.9576	2.6843

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

using model chemistry: CCSD=FULL/Def2TZVPP

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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