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	hartrees
Energy at 0K	-2662.240722
Energy at 298.15K
HF Energy	-2661.985457
Nuclear repulsion energy	121.512852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2225	2135	0.58
2	Σ	532	510	0.00
3	Π	359	344	1.72
3	Π	359	344	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.178
N2	0.000	0.000	-2.361
Br3	0.000	0.000	0.674

	C1	N2	Br3
C1		1.1826	1.8522
N2	1.1826		3.0348
Br3	1.8522	3.0348

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

using model chemistry: CCD/6-31G

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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