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	hartrees
Energy at 0K	-473.958925
Energy at 298.15K	-473.961293
HF Energy	-473.515098
Nuclear repulsion energy	57.420746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3656	71.97
2	A	2700	2543	14.55
3	A	1259	1186	43.17
4	A	1055	994	3.48
5	A	803	756	51.03
6	A	520	489	82.88

Atom	x (Å)	y (Å)	z (Å)
S1	-0.575	-0.089	0.010
O2	1.080	0.022	-0.117
H3	-0.872	1.220	0.005
H4	1.425	0.036	0.778

	S1	O2	H3	H4
S1		1.6636	1.3427	2.1457
O2	1.6636		2.2940	0.9594
H3	1.3427	2.2940		2.6972
H4	2.1457	0.9594	2.6972

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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