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	hartrees
Energy at 0K	-474.048743
Energy at 298.15K	-474.044604
HF Energy	-473.484701
Nuclear repulsion energy	57.802738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4099	4099	86.74
2	A	2894	2894	39.66
3	A	1345	1345	64.14
4	A	1135	1135	10.45
5	A	866	866	64.69
6	A	526	526	133.10

Atom	x (Å)	y (Å)	z (Å)
S1	-0.573	-0.088	0.010
O2	1.071	0.023	-0.115
H3	-0.859	1.209	0.017
H4	1.464	0.020	0.744

	S1	O2	H3	H4
S1		1.6530	1.3280	2.1680
O2	1.6530		2.2691	0.9440
H3	1.3280	2.2691		2.7087
H4	2.1680	0.9440	2.7087

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

using model chemistry: CBS-Q

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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