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	hartrees
Energy at 0K	-2665.136236
Energy at 298.15K
HF Energy	-2664.678017
Nuclear repulsion energy	123.989079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2270	2270	8.65
2	Σ	592	592	0.61
3	Π	354	354	2.02
3	Π	354	354	2.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.146
N2	0.000	0.000	-2.319
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1722	1.8068
N2	1.1722		2.9789
Br3	1.8068	2.9789

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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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