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	hartrees
Energy at 0K	-474.443323
Energy at 298.15K	-474.445650
HF Energy	-474.290915
Nuclear repulsion energy	56.622303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3837	3837	73.08
2	A	2664	2664	26.22
3	A	1200	1200	34.29
4	A	1021	1021	4.16
5	A	739	739	42.74
6	A	506	506	99.91

Atom	x (Å)	y (Å)	z (Å)
S1	-0.585	-0.090	0.008
O2	1.099	0.026	-0.117
H3	-0.879	1.226	0.025
H4	1.438	0.007	0.783

	S1	O2	H3	H4
S1		1.6926	1.3487	2.1685
O2	1.6926		2.3181	0.9620
H3	1.3487	2.3181		2.7259
H4	2.1685	0.9620	2.7259

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

using model chemistry: B2PLYP=FULL/6-311G**

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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