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	hartrees
Energy at 0K	-423.700430
Energy at 298.15K
HF Energy	-423.700430
Nuclear repulsion energy	31.800652

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	2840	2840	22.34	67.54	0.23	0.37
2	Σ	1190	1190	56.06	78.69	0.07	0.13
3	Π	729	729	0.06	0.79	0.75	0.86
3	Π	729	729	0.06	0.79	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		1.1686	1.5989
H2	1.1686		2.7675
S3	1.5989	2.7675

Number	Element	Mulliken
1	B	-0.059
2	H	0.026
3	S	0.033

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

using model chemistry: B3LYPultrafine/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>	26.862
(<r²>)^1/2	5.183