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	hartrees
Energy at 0K	-2665.140873
Energy at 298.15K
HF Energy	-2664.688685
Nuclear repulsion energy	125.900817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2397	2210	18.87
2	Σ	620	571	0.11
3	Π	384	354	3.10
3	Π	384	354	3.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.280
Br3	0.000	0.000	0.651

	C1	N2	Br3
C1		1.1446	1.7856
N2	1.1446		2.9302
Br3	1.7856	2.9302

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

using model chemistry: CISD/6-311+G(3df,2p)

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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