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	hartrees
Energy at 0K	-2666.999558
Energy at 298.15K
HF Energy	-2666.999558
Nuclear repulsion energy	125.253711

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	2292	2292	26.96	97.70	0.25	0.40
2	Σ	587	587	1.03	6.54	0.08	0.15
3	Π	368	368	1.97	1.06	0.75	0.86
3	Π	368	368	1.97	1.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.140
N2	0.000	0.000	-2.292
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1528	1.7933
N2	1.1528		2.9461
Br3	1.7933	2.9461

Number	Element	Mulliken
1	C	0.611
2	N	-0.822
3	Br	0.211

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

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>	78.851
(<r²>)^1/2	8.880