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	hartrees
Energy at 0K	-2652.033979
Energy at 298.15K
HF Energy	-2652.033979
Nuclear repulsion energy	125.571371

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	2547	2299	13.69	45.78	0.29	0.45
2	Σ	630	569	0.25	4.04	0.23	0.37
3	Π	451	407	2.04	3.23	0.75	0.86
3	Π	451	407	2.04	3.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.143
N2	0.000	0.000	-2.283
Br3	0.000	0.000	0.652

	C1	N2	Br3
C1		1.1396	1.7954
N2	1.1396		2.9350
Br3	1.7954	2.9350

Number	Element	Mulliken
1	C	0.289
2	N	-0.443
3	Br	0.154

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

using model chemistry: HF/3-21G*

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>	78.398
(<r²>)^1/2	8.854