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	hartrees
Energy at 0K	-473.878383
Energy at 298.15K	-473.880702
HF Energy	-473.537447
Nuclear repulsion energy	56.413846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3924	3924	81.61
2	A	2739	2739	9.82
3	A	1239	1239	44.70
4	A	1031	1031	2.84
5	A	792	792	53.21
6	A	460	460	78.76

Atom	x (Å)	y (Å)	z (Å)
S1	-0.589	-0.089	0.009
O2	1.103	0.022	-0.117
H3	-0.855	1.235	0.018
H4	1.452	0.014	0.777

	S1	O2	H3	H4
S1		1.7007	1.3509	2.1836
O2	1.7007		2.3075	0.9597
H3	1.3509	2.3075		2.7186
H4	2.1836	0.9597	2.7186

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

using model chemistry: CISD/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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