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	hartrees
Energy at 0K	-28.453652
Energy at 298.15K
HF Energy	-28.198356
Nuclear repulsion energy	22.590322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1913	1867	1.69
2	Σ	520	507	0.62
3	Π	294	287	0.85
3	Π	294	287	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.185
N2	0.000	0.000	-2.406
Br3	0.000	0.000	0.684

	C1	N2	Br3
C1		1.2207	1.8694
N2	1.2207		3.0900
Br3	1.8694	3.0900

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

using model chemistry: MP2/CEP-121G

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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