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	hartrees
Energy at 0K	-423.653928
Energy at 298.15K
HF Energy	-423.653928
Nuclear repulsion energy	31.604313

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	2868	2748	25.59	62.95	0.26	0.42
2	Σ	1190	1140	53.23	42.86	0.24	0.39
3	Π	720	690	2.48	1.39	0.75	0.86
3	Π	720	690	2.48	1.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.117
H2	0.000	0.000	-2.292
S3	0.000	0.000	0.492

	B1	H2	S3
B1		1.1754	1.6089
H2	1.1754		2.7843
S3	1.6089	2.7843

Number	Element	Mulliken
1	B	0.147
2	H	0.045
3	S	-0.191

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

using model chemistry: B3LYPultrafine/6-31G*

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>	26.853
(<r²>)^1/2	5.182