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	hartrees
Energy at 0K	-423.496501
Energy at 298.15K
HF Energy	-423.417924
Nuclear repulsion energy	31.433139

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	2845	2845	19.15	72.88	0.23	0.37
2	Σ	1177	1177	41.35	87.32	0.08	0.14
3	Π	720	720	0.03	0.95	0.75	0.86
3	Π	720	720	0.03	0.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.124
H2	0.000	0.000	-2.301
S3	0.000	0.000	0.495

	B1	H2	S3
B1		1.1773	1.6185
H2	1.1773		2.7957
S3	1.6185	2.7957

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

using model chemistry: B2PLYP=FULL/daug-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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