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	hartrees
Energy at 0K	-2663.955694
Energy at 298.15K
HF Energy	-2663.819390
Nuclear repulsion energy	124.747804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2235	2122	11.96
2	Σ	585	555	1.65
3	Π	392	372	2.29
4	Π	392	372	2.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.136
N2	0.000	0.000	-2.307
Br3	0.000	0.000	0.656

	C1	N2	Br3
C1		1.1712	1.7919
N2	1.1712		2.9631
Br3	1.7919	2.9631

Number	Element	Mulliken
1	C	0.333
2	N	-0.393
3	Br	0.059

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

using model chemistry: B2PLYP/6-31G*

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>	79.113
(<r²>)^1/2	8.895