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	hartrees
Energy at 0K	-2652.067746
Energy at 298.15K
HF Energy	-2651.815994
Nuclear repulsion energy	121.885087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2267	2204	0.00
2	Σ	556	541	0.01
3	Π	439	427	1.16
3	Π	439	427	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.179
N2	0.000	0.000	-2.351
Br3	0.000	0.000	0.672

	C1	N2	Br3
C1		1.1722	1.8509
N2	1.1722		3.0231
Br3	1.8509	3.0231

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

using model chemistry: CCD/3-21G

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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