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	hartrees
Energy at 0K	-31.029494
Energy at 298.15K	-31.028651
HF Energy	-31.029494
Nuclear repulsion energy	35.588779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2436	2352	0.00
2	Σ_g	880	850	0.00
3	Σ_u	2257	2179	2.39
4	Π_g	524	506	0.00
4	Π_g	524	506	0.00
5	Π_u	243	235	14.51
5	Π_u	243	235	14.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.706
C2	0.000	0.000	-0.706
N3	0.000	0.000	1.887
N4	0.000	0.000	-1.887

	C1	C2	N3	N4
C1		1.4114	1.1812	2.5926
C2	1.4114		2.5926	1.1812
N3	1.1812	2.5926		3.7738
N4	2.5926	1.1812	3.7738

Number	Element	Mulliken
1	C	-0.448
2	C	-0.448
3	N	0.448
4	N	0.448

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B3LYP/CEP-31G*

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>	54.404
(<r²>)^1/2	7.376

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)