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	hartrees
Energy at 0K	-2665.121996
Energy at 298.15K
HF Energy	-2664.667410
Nuclear repulsion energy	124.058953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2208	2126
2	Σ	579	557
3	Π	334	322
3	Π	334	322

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.146
N2	0.000	0.000	-2.317
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1711	1.8060
N2	1.1711		2.9770
Br3	1.8060	2.9770

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

using model chemistry: QCISD(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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