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	hartrees
Energy at 0K	-473.934181
Energy at 298.15K	-473.936461
HF Energy	-473.535110
Nuclear repulsion energy	55.703490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3759	3666
2	A	2660	2594
3	A	1192	1163
4	A	986	962
5	A	732	714
6	A	457	445

Atom	x (Å)	y (Å)	z (Å)
S1	-0.597	-0.090	0.008
O2	1.121	0.023	-0.118
H3	-0.858	1.244	0.026
H4	1.449	0.001	0.795

	S1	O2	H3	H4
S1		1.7261	1.3588	2.1947
O2	1.7261		2.3290	0.9706
H3	1.3588	2.3290		2.7312
H4	2.1947	0.9706	2.7312

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

using model chemistry: MP4=FULL/aug-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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