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	hartrees
Energy at 0K	-2652.377914
Energy at 298.15K
HF Energy	-2652.030117
Nuclear repulsion energy	122.997794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2223	2136	0.36
2	Σ	571	548	0.63
3	Π	379	364	1.19
3	Π	379	364	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.159
N2	0.000	0.000	-2.335
Br3	0.000	0.000	0.666

	C1	N2	Br3
C1		1.1767	1.8244
N2	1.1767		3.0012
Br3	1.8244	3.0012

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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