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	hartrees
Energy at 0K	-28.846467
Energy at 298.15K
HF Energy	-28.846467
Nuclear repulsion energy	23.033146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2174	2118	15.56
2	Σ	539	525	0.41
3	Π	344	336	0.65
3	Π	344	336	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.176
N2	0.000	0.000	-2.362
Br3	0.000	0.000	0.674

	C1	N2	Br3
C1		1.1861	1.8499
N2	1.1861		3.0360
Br3	1.8499	3.0360

Number	Element	Mulliken
1	C	-0.486
2	N	0.199
3	Br	0.287

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

using model chemistry: B3LYP/CEP-121G

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>	53.886
(<r²>)^1/2	7.341