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	hartrees
Energy at 0K	-474.060263
Energy at 298.15K	-474.062606
HF Energy	-473.584396
Nuclear repulsion energy	57.488304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3879	3687	80.96
2	A	2682	2550	10.72
3	A	1231	1170	45.36
4	A	1046	994	2.99
5	A	805	765	60.03
6	A	486	462	78.34

Atom	x (Å)	y (Å)	z (Å)
S1	-0.575	-0.089	0.010
O2	1.078	0.020	-0.117
H3	-0.861	1.222	0.002
H4	1.433	0.041	0.772

	S1	O2	H3	H4
S1		1.6612	1.3423	2.1514
O2	1.6612		2.2846	0.9575
H3	1.3423	2.2846		2.6932
H4	2.1514	0.9575	2.6932

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

using model chemistry: CCSD/cc-pVQZ

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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