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	hartrees
Energy at 0K	-185.584143
Energy at 298.15K	-185.583411
HF Energy	-185.584143
Nuclear repulsion energy	76.577557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2498	2378	0.00
2	Σ_g	888	846	0.00
3	Σ_u	2313	2202	0.23
4	Π_g	577	550	0.00
4	Π_g	577	550	0.00
5	Π_u	253	241	18.74
5	Π_u	253	241	18.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.693
C2	0.000	0.000	-0.693
N3	0.000	0.000	1.852
N4	0.000	0.000	-1.852

	C1	C2	N3	N4
C1		1.3864	1.1585	2.5449
C2	1.3864		2.5449	1.1585
N3	1.1585	2.5449		3.7034
N4	2.5449	1.1585	3.7034

Number	Element	Mulliken
1	C	0.501
2	C	0.501
3	N	-0.501
4	N	-0.501

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: wB97X-D/6-31+G**

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>	68.818
(<r²>)^1/2	8.296

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)