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	hartrees
Energy at 0K	-184.596676
Energy at 298.15K	-184.595919
HF Energy	-184.596676
Nuclear repulsion energy	76.712997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2385	2347	0.00
2	Σ_g	896	881	0.00
3	Σ_u	2214	2178	0.30
4	Π_g	561	552	0.00
4	Π_g	561	552	0.00
5	Π_u	250	246	20.31
5	Π_u	250	246	20.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.681
C2	0.000	0.000	-0.681
N3	0.000	0.000	1.847
N4	0.000	0.000	-1.847

	C1	C2	N3	N4
C1		1.3629	1.1656	2.5285
C2	1.3629		2.5285	1.1656
N3	1.1656	2.5285		3.6941
N4	2.5285	1.1656	3.6941

Number	Element	Mulliken
1	C	0.276
2	C	0.276
3	N	-0.276
4	N	-0.276

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: LSDA/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>	67.909
(<r²>)^1/2	8.241

All results from a given calculation for C2N2 (Cyanogen)

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

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)