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	hartrees
Energy at 0K	-185.444607
Energy at 298.15K	-185.443807
HF Energy	-185.444607
Nuclear repulsion energy	75.877849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2341	2303	0.00
2	Σ_g	877	863	0.00
3	Σ_u	2180	2144	0.27
4	Π_g	553	544	0.00
4	Π_g	553	544	0.00
5	Π_u	244	240	16.98
5	Π_u	244	240	16.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.689
C2	0.000	0.000	-0.689
N3	0.000	0.000	1.867
N4	0.000	0.000	-1.867

	C1	C2	N3	N4
C1		1.3786	1.1781	2.5567
C2	1.3786		2.5567	1.1781
N3	1.1781	2.5567		3.7348
N4	2.5567	1.1781	3.7348

Number	Element	Mulliken
1	C	0.419
2	C	0.419
3	N	-0.419
4	N	-0.419

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: PBEPBEultrafine/6-31G*

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>	69.109
(<r²>)^1/2	8.313

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)