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	hartrees
Energy at 0K	-2665.102954
Energy at 298.15K
HF Energy	-2664.668786
Nuclear repulsion energy	124.392628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2271	2167	5.84
2	Σ	587	561	0.52
3	Π	346	330	2.31
3	Π	346	330	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.146
N2	0.000	0.000	-2.309
Br3	0.000	0.000	0.658

	C1	N2	Br3
C1		1.1638	1.8038
N2	1.1638		2.9676
Br3	1.8038	2.9676

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

using model chemistry: QCISD/6-311G**

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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