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	hartrees
Energy at 0K	-2663.977460
Energy at 298.15K
HF Energy	-2663.839920
Nuclear repulsion energy	125.108798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2228	2122	17.96
2	Σ	588	560	1.78
3	Π	390	371	1.51
3	Π	390	371	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.130
N2	0.000	0.000	-2.302
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1715	1.7844
N2	1.1715		2.9559
Br3	1.7844	2.9559

Number	Element	Mulliken
1	C	0.240
2	N	-0.312
3	Br	0.073

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

using model chemistry: B2PLYP/6-31+G**

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>	79.196
(<r²>)^1/2	8.899