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	hartrees
Energy at 0K	-423.495759
Energy at 298.15K
HF Energy	-423.417554
Nuclear repulsion energy	31.423234

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	2847	2739	18.65	69.53	0.21	0.35
2	Σ	1176	1132	41.00	79.95	0.09	0.16
3	Π	716	689	0.03	0.78	0.75	0.86
3	Π	716	689	0.03	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.124
H2	0.000	0.000	-2.302
S3	0.000	0.000	0.495

	B1	H2	S3
B1		1.1782	1.6189
H2	1.1782		2.7970
S3	1.6189	2.7970

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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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