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	hartrees
Energy at 0K	-2665.268284
Energy at 298.15K
HF Energy	-2664.734260
Nuclear repulsion energy	126.189421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2427	2427	19.09
2	Σ	627	627	0.08
3	Π	392	392	3.27
3	Π	392	392	3.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
N2	0.000	0.000	-2.275
Br3	0.000	0.000	0.649

	C1	N2	Br3
C1		1.1422	1.7814
N2	1.1422		2.9235
Br3	1.7814	2.9235

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

using model chemistry: CID/Def2TZVPP

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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