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	hartrees
Energy at 0K	-184.606616
Energy at 298.15K	-184.605812
HF Energy	-184.606616
Nuclear repulsion energy	76.385157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2386	2359	0.00
2	Σ_g	898	887	0.00
3	Σ_u	2202	2178	0.39
4	Π_g	537	531	0.00
4	Π_g	537	531	0.00
5	Π_u	240	238	19.99
5	Π_u	240	238	19.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.685
C2	0.000	0.000	-0.685
N3	0.000	0.000	1.855
N4	0.000	0.000	-1.855

	C1	C2	N3	N4
C1		1.3699	1.1701	2.5400
C2	1.3699		2.5400	1.1701
N3	1.1701	2.5400		3.7101
N4	2.5400	1.1701	3.7101

Number	Element	Mulliken
1	C	0.083
2	C	0.083
3	N	-0.083
4	N	-0.083

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: LSDA/aug-cc-pVDZ

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>	68.867
(<r²>)^1/2	8.299

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)