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	hartrees
Energy at 0K	-185.668558
Energy at 298.15K	-185.667812
HF Energy	-185.668558
Nuclear repulsion energy	76.377610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2440	2367	0.00
2	Σ_g	891	864	0.00
3	Σ_u	2264	2196	0.06
4	Π_g	556	539	0.00
4	Π_g	556	539	0.00
5	Π_u	255	248	16.86
5	Π_u	255	248	16.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.692
C2	0.000	0.000	-0.692
N3	0.000	0.000	1.856
N4	0.000	0.000	-1.856

	C1	C2	N3	N4
C1		1.3836	1.1643	2.5479
C2	1.3836		2.5479	1.1643
N3	1.1643	2.5479		3.7122
N4	2.5479	1.1643	3.7122

Number	Element	Mulliken
1	C	0.037
2	C	0.037
3	N	-0.037
4	N	-0.037

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B3LYPultrafine/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>	68.629
(<r²>)^1/2	8.284

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)