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	hartrees
Energy at 0K	-2652.386100
Energy at 298.15K
HF Energy	-2652.026830
Nuclear repulsion energy	123.103940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2040	1934	0.10
2	Σ	583	553	1.93
3	Π	379	359	1.01
3	Π	379	359	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.147
N2	0.000	0.000	-2.341
Br3	0.000	0.000	0.665

	C1	N2	Br3
C1		1.1938	1.8115
N2	1.1938		3.0053
Br3	1.8115	3.0053

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

using model chemistry: MP2=FULL/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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