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	hartrees
Energy at 0K	-2653.903045
Energy at 298.15K
HF Energy	-2653.903045
Nuclear repulsion energy	125.089624

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	2305	2213	16.43	50.14	0.32	0.49
2	Σ	613	588	1.12	4.69	0.22	0.36
3	Π	432	415	0.63	2.07	0.75	0.86
3	Π	432	415	0.63	2.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.134
N2	0.000	0.000	-2.300
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1666	1.7879
N2	1.1666		2.9545
Br3	1.7879	2.9545

Number	Element	Mulliken
1	C	0.279
2	N	-0.433
3	Br	0.154

All results from a given calculation for BrCN (Cyanogen bromide)

using model chemistry: HSEh1PBE/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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<r²>	78.555
(<r²>)^1/2	8.863