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	hartrees
Energy at 0K	-2665.342059
Energy at 298.15K
HF Energy	-2664.732993
Nuclear repulsion energy	125.395728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2325	2325	9.66
2	Σ	608	608	0.29
3	Π	368	368	2.55
3	Π	368	368	2.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.291
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1540	1.7897
N2	1.1540		2.9437
Br3	1.7897	2.9437

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

using model chemistry: CCD/Def2TZVPP

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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