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	hartrees
Energy at 0K	-474.397026
Energy at 298.15K
HF Energy	-474.260108
Nuclear repulsion energy	57.181389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3822	3822	68.84
2	A	2658	2658	17.36
3	A	1234	1234	39.85
4	A	1033	1033	2.50
5	A	777	777	48.77
6	A	512	512	79.30

Atom	x (Å)	y (Å)	z (Å)
S1	-0.577	-0.090	0.009
O2	1.086	0.024	-0.118
H3	-0.882	1.223	0.010
H4	1.426	0.030	0.783

	S1	O2	H3	H4
S1		1.6711	1.3475	2.1504
O2	1.6711		2.3073	0.9629
H3	1.3475	2.3073		2.7101
H4	2.1504	0.9629	2.7101

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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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