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	hartrees
Energy at 0K	-185.596872
Energy at 298.15K	-185.596163
HF Energy	-185.596872
Nuclear repulsion energy	76.924920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2521	2401	0.00
2	Σ_g	892	849	0.00
3	Σ_u	2336	2224	0.02
4	Π_g	581	553	0.00
4	Π_g	581	553	0.00
5	Π_u	259	246	21.18
5	Π_u	259	246	21.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.694
C2	0.000	0.000	-0.694
N3	0.000	0.000	1.844
N4	0.000	0.000	-1.844

	C1	C2	N3	N4
C1		1.3872	1.1503	2.5375
C2	1.3872		2.5375	1.1503
N3	1.1503	2.5375		3.6878
N4	2.5375	1.1503	3.6878

Number	Element	Mulliken
1	C	0.246
2	C	0.246
3	N	-0.246
4	N	-0.246

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: M06-2X/6-31G(2df,p)

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>	68.007
(<r²>)^1/2	8.247

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)