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	hartrees
Energy at 0K	-421.464909
Energy at 298.15K
HF Energy	-421.398238
Nuclear repulsion energy	31.605070

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	2903	2903	16.91	50.14	0.18	0.31
2	Σ	1193	1193	34.32	44.48	0.25	0.40
3	Π	696	696	0.38	3.82	0.75	0.86
3	Π	696	696	0.38	3.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.118
H2	0.000	0.000	-2.287
S3	0.000	0.000	0.492

	B1	H2	S3
B1		1.1699	1.6098
H2	1.1699		2.7797
S3	1.6098	2.7797

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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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