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	hartrees
Energy at 0K	-2666.987428
Energy at 298.15K
HF Energy	-2666.987428
Nuclear repulsion energy	125.782906

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	2369	2369	27.06	91.98	0.24	0.39
2	Σ	611	611	0.57	5.81	0.08	0.14
3	Π	383	383	2.57	1.03	0.75	0.86
3	Π	383	383	2.57	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.282
Br3	0.000	0.000	0.651

	C1	N2	Br3
C1		1.1473	1.7862
N2	1.1473		2.9335
Br3	1.7862	2.9335

Number	Element	Mulliken
1	C	0.784
2	N	-0.987
3	Br	0.204

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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>	78.290
(<r²>)^1/2	8.848