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	hartrees
Energy at 0K	-185.496429
Energy at 298.15K	-185.495686
HF Energy	-185.496429
Nuclear repulsion energy	77.084918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2468	2371	0.00
2	Σ_g	892	857	0.00
3	Σ_u	2292	2202	0.04
4	Π_g	557	535	0.00
4	Π_g	557	535	0.00
5	Π_u	254	244	21.04
5	Π_u	254	244	21.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.688
C2	0.000	0.000	-0.688
N3	0.000	0.000	1.839
N4	0.000	0.000	-1.839

	C1	C2	N3	N4
C1		1.3755	1.1516	2.5272
C2	1.3755		2.5272	1.1516
N3	1.1516	2.5272		3.6788
N4	2.5272	1.1516	3.6788

Number	Element	Mulliken
1	C	0.018
2	C	0.018
3	N	-0.018
4	N	-0.018

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: PBE1PBE/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>	67.902
(<r²>)^1/2	8.240

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)