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	hartrees
Energy at 0K	-2665.524385
Energy at 298.15K
HF Energy	-2664.665965
Nuclear repulsion energy	124.730081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2115	2003	2.06
2	Σ	600	568	1.65
3	Π	345	327	2.01
3	Π	345	327	2.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
N2	0.000	0.000	-2.310
Br3	0.000	0.000	0.656

	C1	N2	Br3
C1		1.1782	1.7879
N2	1.1782		2.9661
Br3	1.7879	2.9661

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

using model chemistry: MP2=FULL/6-311G*

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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