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	hartrees
Energy at 0K	-185.528869
Energy at 298.15K	-185.528114
HF Energy	-185.307986
Nuclear repulsion energy	76.468785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2356	2250	0.00
2	Σ_g	877	838	0.00
3	Σ_u	2184	2085	2.26
4	Π_g	556	531	0.00
4	Π_g	556	531	0.00
5	Π_u	255	243	21.13
5	Π_u	255	243	21.13

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	1.853
N4	0.000	0.000	-1.853

	C1	C2	N3	N4
C1		1.3758	1.1656	2.5414
C2	1.3758		2.5414	1.1656
N3	1.1656	2.5414		3.7070
N4	2.5414	1.1656	3.7070

Number	Element	Mulliken
1	C	0.232
2	C	0.232
3	N	-0.232
4	N	-0.232

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B2PLYP/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>	68.497
(<r²>)^1/2	8.276

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)