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	hartrees
Energy at 0K	-474.103682
Energy at 298.15K	-474.105995
HF Energy	-473.574249
Nuclear repulsion energy	56.906532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3804	3688
2	A	2669	2587
3	A	1195	1159
4	A	1020	989
5	A	764	741
6	A	474	459

Atom	x (Å)	y (Å)	z (Å)
S1	-0.582	-0.089	0.009
O2	1.092	0.023	-0.117
H3	-0.854	1.226	0.018
H4	1.435	0.014	0.782

	S1	O2	H3	H4
S1		1.6830	1.3425	2.1635
O2	1.6830		2.2918	0.9630
H3	1.3425	2.2918		2.7004
H4	2.1635	0.9630	2.7004

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

using model chemistry: MP4=FULL/aug-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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