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	hartrees
Energy at 0K	-30.968621
Energy at 298.15K	-30.967822
HF Energy	-30.968621
Nuclear repulsion energy	35.358449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2362	2287	0.00
2	Σ_g	873	845	0.00
3	Σ_u	2155	2087	0.38
4	Π_g	550	533	0.00
4	Π_g	550	533	0.00
5	Π_u	244	237	12.53
5	Π_u	244	237	12.53

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	1.898
N4	0.000	0.000	-1.898

	C1	C2	N3	N4
C1		1.4120	1.1925	2.6045
C2	1.4120		2.6045	1.1925
N3	1.1925	2.6045		3.7969
N4	2.6045	1.1925	3.7969

Number	Element	Mulliken
1	C	-0.492
2	C	-0.492
3	N	0.492
4	N	0.492

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>	55.298
(<r²>)^1/2	7.436

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)