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	hartrees
Energy at 0K	-423.684513
Energy at 298.15K
HF Energy	-423.684513
Nuclear repulsion energy	31.779969

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	2836	2717	21.71	66.86	0.22	0.36
2	Σ	1200	1150	58.18	77.38	0.07	0.13
3	Π	730	699	0.06	0.77	0.75	0.86
3	Π	730	699	0.06	0.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.110
H2	0.000	0.000	-2.282
S3	0.000	0.000	0.489

	B1	H2	S3
B1		1.1724	1.5994
H2	1.1724		2.7718
S3	1.5994	2.7718

Number	Element	Mulliken
1	B	-0.017
2	H	0.029
3	S	-0.012

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

using model chemistry: mPW1PW91/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>	26.765
(<r²>)^1/2	5.174