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	hartrees
Energy at 0K	-474.101824
Energy at 298.15K	-474.104144
HF Energy	-473.574529
Nuclear repulsion energy	57.020441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3830	3691
2	A	2658	2562
3	A	1205	1161
4	A	1025	988
5	A	774	745
6	A	476	458

Atom	x (Å)	y (Å)	z (Å)
S1	-0.581	-0.089	0.009
O2	1.089	0.022	-0.117
H3	-0.853	1.226	0.017
H4	1.437	0.017	0.779

	S1	O2	H3	H4
S1		1.6786	1.3432	2.1626
O2	1.6786		2.2891	0.9612
H3	1.3432	2.2891		2.6998
H4	2.1626	0.9612	2.6998

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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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