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	hartrees
Energy at 0K	-474.082577
Energy at 298.15K	-474.084923
HF Energy	-473.575611
Nuclear repulsion energy	57.470645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3930	3930	88.22
2	A	2706	2706	8.82
3	A	1235	1235	46.44
4	A	1053	1053	3.25
5	A	812	812	61.01
6	A	491	491	78.53

Atom	x (Å)	y (Å)	z (Å)
S1	-0.576	-0.089	0.010
O2	1.079	0.020	-0.117
H3	-0.851	1.222	0.004
H4	1.435	0.037	0.769

	S1	O2	H3	H4
S1		1.6632	1.3392	2.1533
O2	1.6632		2.2766	0.9546
H3	1.3392	2.2766		2.6862
H4	2.1533	0.9546	2.6862

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

using model chemistry: MP3=FULL/daug-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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