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	hartrees
Energy at 0K	-423.461074
Energy at 298.15K
HF Energy	-423.461074
Nuclear repulsion energy	31.600129

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	2768	2768	18.81	73.34	0.22	0.36
2	Σ	1165	1165	42.91	79.19	0.07	0.14
3	Π	695	695	0.02	0.58	0.75	0.86
3	Π	695	695	0.02	0.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.116
H2	0.000	0.000	-2.296
S3	0.000	0.000	0.492

	B1	H2	S3
B1		1.1800	1.6084
H2	1.1800		2.7883
S3	1.6084	2.7883

Number	Element	Mulliken
1	B	-0.093
2	H	0.000
3	S	0.093

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

using model chemistry: PBEPBEultrafine/aug-cc-pV(T+d)Z

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>	27.050
(<r²>)^1/2	5.201