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	hartrees
Energy at 0K	-2662.629164
Energy at 298.15K
HF Energy	-2662.166268
Nuclear repulsion energy	124.153809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2237	2237
2	Σ	575	575
3	Π	379	379
3	Π	379	379

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.142
N2	0.000	0.000	-2.317
Br3	0.000	0.000	0.659

	C1	N2	Br3
C1		1.1756	1.8012
N2	1.1756		2.9768
Br3	1.8012	2.9768

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

using model chemistry: QCISD(T)=FULL/6-31G*

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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