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	hartrees
Energy at 0K	-2665.440264
Energy at 298.15K
HF Energy	-2664.733798
Nuclear repulsion energy	125.852207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2395	2395	16.78
2	Σ	614	614	0.20
3	Π	379	379	2.43
3	Π	379	379	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.134
N2	0.000	0.000	-2.281
Br3	0.000	0.000	0.651

	C1	N2	Br3
C1		1.1473	1.7848
N2	1.1473		2.9321
Br3	1.7848	2.9321

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

using model chemistry: MP3=FULL/Def2TZVPP

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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