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	hartrees
Energy at 0K	-474.407173
Energy at 298.15K
HF Energy	-474.285582
Nuclear repulsion energy	56.002866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3789	3789	75.07
2	A	2649	2649	10.06
3	A	1192	1192	41.22
4	A	993	993	1.47
5	A	746	746	48.55
6	A	453	453	74.00

Atom	x (Å)	y (Å)	z (Å)
S1	-0.593	-0.090	0.008
O2	1.113	0.024	-0.118
H3	-0.863	1.241	0.025
H4	1.453	0.004	0.787

	S1	O2	H3	H4
S1		1.7141	1.3585	2.1919
O2	1.7141		2.3253	0.9673
H3	1.3585	2.3253		2.7349
H4	2.1919	0.9673	2.7349

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

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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