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	hartrees
Energy at 0K	-2666.960244
Energy at 298.15K
HF Energy	-2666.960244
Nuclear repulsion energy	123.161780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2181	2184	20.72
2	Σ	554	555	2.54
3	Π	347	348	0.85
3	Π	347	348	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.155
N2	0.000	0.000	-2.334
Br3	0.000	0.000	0.665

	C1	N2	Br3
C1		1.1789	1.8196
N2	1.1789		2.9985
Br3	1.8196	2.9985

Number	Element	Mulliken
1	C	-0.087
2	N	-0.065
3	Br	0.152

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

using model chemistry: BLYP/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>	80.432
(<r²>)^1/2	8.968