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	hartrees
Energy at 0K	-423.527309
Energy at 298.15K
HF Energy	-423.436793
Nuclear repulsion energy	31.691478

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	2856	2744	20.58	66.71	0.22	0.36
2	Σ	1182	1136	44.69	83.85	0.08	0.14
3	Π	725	696	0.07	0.92	0.75	0.86
3	Π	725	696	0.07	0.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.114
H2	0.000	0.000	-2.282
S3	0.000	0.000	0.491

	B1	H2	S3
B1		1.1681	1.6052
H2	1.1681		2.7733
S3	1.6052	2.7733

Number	Element	Mulliken
1	B	-0.027
2	H	0.039
3	S	-0.012

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

using model chemistry: B2PLYP/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>	26.990
(<r²>)^1/2	5.195