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	hartrees
Energy at 0K	-2665.121170
Energy at 298.15K
HF Energy	-2664.667585
Nuclear repulsion energy	124.102775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2216	2133
2	Σ	580	558
3	Π	334	321
3	Π	334	321

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.146
N2	0.000	0.000	-2.316
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1702	1.8056
N2	1.1702		2.9758
Br3	1.8056	2.9758

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

using model chemistry: CCSD(T)/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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