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	hartrees
Energy at 0K	-474.064150
Energy at 298.15K	-474.066497
HF Energy	-473.571870
Nuclear repulsion energy	57.332580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3893	3691	74.56
2	A	2678	2539	15.76
3	A	1235	1171	42.66
4	A	1047	993	2.87
5	A	802	760	54.37
6	A	491	466	77.86

Atom	x (Å)	y (Å)	z (Å)
S1	-0.577	-0.089	0.010
O2	1.083	0.020	-0.117
H3	-0.860	1.222	0.002
H4	1.426	0.039	0.777

	S1	O2	H3	H4
S1		1.6679	1.3413	2.1486
O2	1.6679		2.2877	0.9577
H3	1.3413	2.2877		2.6884
H4	2.1486	0.9577	2.6884

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

using model chemistry: CCSD=FULL/cc-pVTZ

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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