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	hartrees
Energy at 0K	-474.377099
Energy at 298.15K	-474.379399
HF Energy	-474.266519
Nuclear repulsion energy	56.172734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3621	63.49
2	A	2644	2534	26.61
3	A	1199	1149	36.11
4	A	999	957	1.41
5	A	751	720	35.74
6	A	470	451	79.43

Atom	x (Å)	y (Å)	z (Å)
S1	-0.589	-0.090	0.008
O2	1.110	0.024	-0.118
H3	-0.876	1.240	0.018
H4	1.429	0.015	0.797

	S1	O2	H3	H4
S1		1.7074	1.3607	2.1698
O2	1.7074		2.3320	0.9694
H3	1.3607	2.3320		2.7240
H4	2.1698	0.9694	2.7240

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

using model chemistry: B2PLYP=FULL/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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