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	hartrees
Energy at 0K	-2666.539164
Energy at 298.15K
HF Energy	-2666.539164
Nuclear repulsion energy	125.265247

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	2312	2312	30.48	97.05	0.24	0.38
2	Σ	607	607	1.45	7.17	0.07	0.13
3	Π	364	364	1.63	1.02	0.75	0.86
3	Π	364	364	1.63	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.134
N2	0.000	0.000	-2.296
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1623	1.7870
N2	1.1623		2.9494
Br3	1.7870	2.9494

Number	Element	Mulliken
1	C	-0.212
2	N	0.042
3	Br	0.170

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

using model chemistry: HSEh1PBE/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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<r²>	78.781
(<r²>)^1/2	8.876