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	hartrees
Energy at 0K	-2665.106117
Energy at 298.15K
HF Energy	-2664.670845
Nuclear repulsion energy	123.939355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2286	2286	5.50
2	Σ	592	592	0.50
3	Π	349	349	2.02
3	Π	349	349	2.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.147
N2	0.000	0.000	-2.319
Br3	0.000	0.000	0.661

	C1	N2	Br3
C1		1.1719	1.8079
N2	1.1719		2.9799
Br3	1.8079	2.9799

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

using model chemistry: CCSD=FULL/cc-pVDZ

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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