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	hartrees
Energy at 0K	-2665.235459
Energy at 298.15K
HF Energy	-2664.720107
Nuclear repulsion energy	124.748274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2322	2201	6.69
2	Σ	583	553	0.32
3	Π	348	330	1.93
3	Π	348	330	1.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.145
N2	0.000	0.000	-2.301
Br3	0.000	0.000	0.657

	C1	N2	Br3
C1		1.1555	1.8018
N2	1.1555		2.9574
Br3	1.8018	2.9574

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

using model chemistry: CCD/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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