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	hartrees
Energy at 0K	-2665.683029
Energy at 298.15K
HF Energy	-2664.686245
Nuclear repulsion energy	125.084035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2232	2232
2	Σ	594	594
3	Π	353	353
3	Π	353	353

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.136
N2	0.000	0.000	-2.299
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1626	1.7904
N2	1.1626		2.9531
Br3	1.7904	2.9531

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

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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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