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	hartrees
Energy at 0K	-2665.133704
Energy at 298.15K
HF Energy	-2664.680335
Nuclear repulsion energy	124.569662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2357	2357	17.41
2	Σ	606	606	0.36
3	Π	366	366	1.95
3	Π	366	366	1.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.142
N2	0.000	0.000	-2.307
Br3	0.000	0.000	0.657

	C1	N2	Br3
C1		1.1645	1.7997
N2	1.1645		2.9643
Br3	1.7997	2.9643

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

using model chemistry: MP3=FULL/daug-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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