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	hartrees
Energy at 0K	-185.637441
Energy at 298.15K	-185.636690
HF Energy	-185.637441
Nuclear repulsion energy	77.054259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2439	2354	0.00
2	Σ_g	887	856	0.00
3	Σ_u	2272	2192	0.02
4	Π_g	556	536	0.00
4	Π_g	556	536	0.00
5	Π_u	252	243	21.56
5	Π_u	252	243	21.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.687
C2	0.000	0.000	-0.687
N3	0.000	0.000	1.840
N4	0.000	0.000	-1.840

	C1	C2	N3	N4
C1		1.3747	1.1527	2.5274
C2	1.3747		2.5274	1.1527
N3	1.1527	2.5274		3.6801
N4	2.5274	1.1527	3.6801

Number	Element	Mulliken
1	C	0.432
2	C	0.432
3	N	-0.432
4	N	-0.432

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B3PW91/aug-cc-pVTZ

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>	67.993
(<r²>)^1/2	8.246

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)