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	hartrees
Energy at 0K	-2662.847432
Energy at 298.15K
HF Energy	-2662.359851
Nuclear repulsion energy	125.960298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2343	2219	9.37
2	Σ	626	593	0.32
3	Π	386	366	2.81
3	Π	386	366	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
N2	0.000	0.000	-2.284
Br3	0.000	0.000	0.650

	C1	N2	Br3
C1		1.1583	1.7757
N2	1.1583		2.9339
Br3	1.7757	2.9339

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

using model chemistry: CCD/6-31G(2df,p)

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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