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	hartrees
Energy at 0K	-423.698863
Energy at 298.15K
HF Energy	-423.698863
Nuclear repulsion energy	31.747149

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	2747	21.61	67.74	0.23	0.37
2	Σ	1186	1148	54.43	78.98	0.07	0.13
3	Π	727	704	0.06	0.82	0.75	0.86
3	Π	727	704	0.06	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.112
H2	0.000	0.000	-2.281
S3	0.000	0.000	0.490

	B1	H2	S3
B1		1.1687	1.6019
H2	1.1687		2.7706
S3	1.6019	2.7706

Number	Element	Mulliken
1	B	-0.026
2	H	0.023
3	S	0.003

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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>	26.917
(<r²>)^1/2	5.188