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	hartrees
Energy at 0K	-2665.054411
Energy at 298.15K
HF Energy	-2664.670675
Nuclear repulsion energy	125.269486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2384	2206	12.16
2	Σ	610	565	0.11
3	Π	370	342	2.99
3	Π	370	342	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.140
N2	0.000	0.000	-2.291
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1510	1.7942
N2	1.1510		2.9451
Br3	1.7942	2.9451

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

using model chemistry: CISD/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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