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	hartrees
Energy at 0K	-2665.051083
Energy at 298.15K
HF Energy	-2664.670843
Nuclear repulsion energy	125.370257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2398	2228	12.09
2	Σ	612	569	0.08
3	Π	371	345	3.07
3	Π	371	345	3.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.140
N2	0.000	0.000	-2.289
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1494	1.7931
N2	1.1494		2.9425
Br3	1.7931	2.9425

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

using model chemistry: CID/6-311G*

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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