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	hartrees
Energy at 0K	-2652.083995
Energy at 298.15K
HF Energy	-2651.812558
Nuclear repulsion energy	121.111234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2085	2022
2	Σ	539	522
3	Π	426	413
3	Π	426	413

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.181
N2	0.000	0.000	-2.369
Br3	0.000	0.000	0.676

	C1	N2	Br3
C1		1.1889	1.8567
N2	1.1889		3.0456
Br3	1.8567	3.0456

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

using model chemistry: MP4/3-21G

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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