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	hartrees
Energy at 0K	-2665.264628
Energy at 298.15K
HF Energy	-2664.718118
Nuclear repulsion energy	124.102037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2220	2139
2	Σ	566	545
3	Π	330	318
3	Π	330	318

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.148
N2	0.000	0.000	-2.315
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1669	1.8077
N2	1.1669		2.9746
Br3	1.8077	2.9746

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

using model chemistry: QCISD(T)/TZVP

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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