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	hartrees
Energy at 0K	-508.317144
Energy at 298.15K
HF Energy	-507.821977
Nuclear repulsion energy	95.700074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2419	2419	17.51
2	Σ	622	622	0.06
3	Π	389	389	3.01
3	Π	389	389	3.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.131
N2	0.000	0.000	-2.275
Br3	0.000	0.000	0.649

	C1	N2	Br3
C1		1.1435	1.7801
N2	1.1435		2.9237
Br3	1.7801	2.9237

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

using model chemistry: CID/cc-pVTZ-PP

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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