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	hartrees
Energy at 0K	-2662.947482
Energy at 298.15K
HF Energy	-2662.360098
Nuclear repulsion energy	126.755368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2350	2212	10.77
2	Σ	645	607	0.46
3	Π	421	397	2.71
3	Π	421	397	2.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.116
N2	0.000	0.000	-2.272
Br3	0.000	0.000	0.646

	C1	N2	Br3
C1		1.1563	1.7613
N2	1.1563		2.9175
Br3	1.7613	2.9175

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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