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	hartrees
Energy at 0K	-423.704283
Energy at 298.15K
HF Energy	-423.704283
Nuclear repulsion energy	31.797045

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	2750	22.22	67.61	0.23	0.37
2	Σ	1187	1150	55.18	79.80	0.07	0.12
3	Π	727	704	0.06	0.85	0.75	0.86
3	Π	727	704	0.06	0.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.110
H2	0.000	0.000	-2.278
S3	0.000	0.000	0.489

	B1	H2	S3
B1		1.1680	1.5992
H2	1.1680		2.7672
S3	1.5992	2.7672

Number	Element	Mulliken
1	B	0.200
2	H	-0.196
3	S	-0.004

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

using model chemistry: B3LYP/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>	26.861
(<r²>)^1/2	5.183