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	hartrees
Energy at 0K	-2662.615701
Energy at 298.15K
HF Energy	-2662.185217
Nuclear repulsion energy	124.304548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2230	2140
2	Σ	575	552
3	Π	361	346
3	Π	361	346

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.139
N2	0.000	0.000	-2.316
Br3	0.000	0.000	0.658

	C1	N2	Br3
C1		1.1763	1.7976
N2	1.1763		2.9739
Br3	1.7976	2.9739

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

using model chemistry: CCSD(T)/6-31+G**

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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