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	hartrees
Energy at 0K	-2666.444250
Energy at 298.15K
HF Energy	-2666.299948
Nuclear repulsion energy	124.737314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2219	2219	10.50
2	Σ	588	588	1.16
3	Π	354	354	2.01
3	Π	354	354	2.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.140
N2	0.000	0.000	-2.304
Br3	0.000	0.000	0.656

	C1	N2	Br3
C1		1.1643	1.7965
N2	1.1643		2.9607
Br3	1.7965	2.9607

Number	Element	Mulliken
1	C	0.042
2	N	-0.252
3	Br	0.210

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

using model chemistry: B2PLYP/6-311G**

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>	79.308
(<r²>)^1/2	8.905