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	hartrees
Energy at 0K	-2664.540925
Energy at 298.15K
HF Energy	-2664.540925
Nuclear repulsion energy	125.370346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2302	2219	34.03
2	Σ	586	565	1.65
3	Π	404	390	1.49
3	Π	404	390	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.131
N2	0.000	0.000	-2.295
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1637	1.7841
N2	1.1637		2.9477
Br3	1.7841	2.9477

Number	Element	Mulliken
1	C	0.251
2	N	-0.327
3	Br	0.077

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

using model chemistry: B3LYP/6-31+G**

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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<r²>	78.834
(<r²>)^1/2	8.879