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	hartrees
Energy at 0K	-474.353233
Energy at 298.15K
HF Energy	-474.244934
Nuclear repulsion energy	56.650588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3820	3820	54.39
2	A	2682	2682	38.54
3	A	1232	1232	44.57
4	A	1020	1020	4.15
5	A	766	766	45.09
6	A	506	506	95.41

Atom	x (Å)	y (Å)	z (Å)
S1	-0.584	-0.090	0.007
O2	1.098	0.029	-0.117
H3	-0.885	1.222	0.037
H4	1.438	-0.009	0.787

	S1	O2	H3	H4
S1		1.6907	1.3470	2.1684
O2	1.6907		2.3195	0.9668
H3	1.3470	2.3195		2.7340
H4	2.1684	0.9668	2.7340

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

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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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