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	hartrees
Energy at 0K	-423.702854
Energy at 298.15K
HF Energy	-423.702854
Nuclear repulsion energy	31.732470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2838	2838	23.92	70.78	0.23	0.37
2	Σ	1182	1182	53.52	78.04	0.07	0.13
3	Π	729	729	0.03	0.91	0.75	0.86
3	Π	729	729	0.03	0.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.112
H2	0.000	0.000	-2.283
S3	0.000	0.000	0.490

	B1	H2	S3
B1		1.1708	1.6024
H2	1.1708		2.7732
S3	1.6024	2.7732

Number	Element	Mulliken
1	B	0.323
2	H	-0.418
3	S	0.094

All results from a given calculation for HBS (hydrogen boron sulfide)

using model chemistry: TPSSh/aug-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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<r²>	26.811
(<r²>)^1/2	5.178