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	hartrees
Energy at 0K	-423.694219
Energy at 298.15K
HF Energy	-423.694219
Nuclear repulsion energy	31.791951

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	2839	2839	21.49	68.45	0.20	0.34
2	Σ	1191	1191	52.93	58.00	0.13	0.23
3	Π	730	730	0.09	1.26	0.75	0.86
3	Π	730	730	0.09	1.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.110
H2	0.000	0.000	-2.279
S3	0.000	0.000	0.489

	B1	H2	S3
B1		1.1692	1.5993
H2	1.1692		2.7685
S3	1.5993	2.7685

Number	Element	Mulliken
1	B	0.002
2	H	0.106
3	S	-0.108

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

using model chemistry: B3LYPultrafine/Def2TZVPP

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>	26.834
(<r²>)^1/2	5.180