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	hartrees
Energy at 0K	-2652.072907
Energy at 298.15K
HF Energy	-2651.815242
Nuclear repulsion energy	121.577937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2235	2166	0.00
2	Σ	547	530	0.02
3	Π	437	424	0.94
3	Π	437	424	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.181
N2	0.000	0.000	-2.357
Br3	0.000	0.000	0.674

	C1	N2	Br3
C1		1.1759	1.8551
N2	1.1759		3.0310
Br3	1.8551	3.0310

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

using model chemistry: QCISD/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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