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	hartrees
Energy at 0K	-2666.985470
Energy at 298.15K
HF Energy	-2666.985470
Nuclear repulsion energy	124.508415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2279	2279	27.30	96.89	0.24	0.38
2	Σ	585	585	1.31	7.73	0.08	0.14
3	Π	351	351	1.66	1.03	0.75	0.86
3	Π	351	351	1.66	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.144
N2	0.000	0.000	-2.308
Br3	0.000	0.000	0.658

	C1	N2	Br3
C1		1.1640	1.8013
N2	1.1640		2.9653
Br3	1.8013	2.9653

Number	Element	Mulliken
1	C	-0.313
2	N	0.095
3	Br	0.218

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

using model chemistry: B3LYP/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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<r²>	79.613
(<r²>)^1/2	8.923