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	hartrees
Energy at 0K	-2652.339976
Energy at 298.15K
HF Energy	-2652.032355
Nuclear repulsion energy	124.036118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2341	2187	3.59
2	Σ	598	559	0.11
3	Π	401	375	1.52
3	Π	401	375	1.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.151
N2	0.000	0.000	-2.315
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1638	1.8111
N2	1.1638		2.9749
Br3	1.8111	2.9749

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

using model chemistry: CISD/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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