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	hartrees
Energy at 0K	-184.426125
Energy at 298.15K	-184.425745
HF Energy	-184.426125
Nuclear repulsion energy	75.968703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2340	2318	0.00
2	Σ_g	878	870	0.00
3	Σ_u	2150	2131	1.21
4	Π_g	788	781	0.00
4	Π_g	788	781	0.00
5	Π_u	313	310	9.43
5	Π_u	313	310	9.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
N3	0.000	0.000	1.864
N4	0.000	0.000	-1.864

	C1	C2	N3	N4
C1		1.3650	1.1820	2.5470
C2	1.3650		2.5470	1.1820
N3	1.1820	2.5470		3.7290
N4	2.5470	1.1820	3.7290

Number	Element	Mulliken
1	C	0.427
2	C	0.427
3	N	-0.427
4	N	-0.427

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: PBEPBE/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>	68.960
(<r²>)^1/2	8.304

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)