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	hartrees
Energy at 0K	-184.636902
Energy at 298.15K	-184.636548
HF Energy	-184.636902
Nuclear repulsion energy	76.648349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2448	2362	0.00
2	Σ_g	897	866	0.00
3	Σ_u	2251	2172	0.20
4	Π_g	790	762	0.00
4	Π_g	790	762	0.00
5	Π_u	321	310	10.78
5	Π_u	321	310	10.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
N3	0.000	0.000	1.849
N4	0.000	0.000	-1.849

	C1	C2	N3	N4
C1		1.3632	1.1670	2.5301
C2	1.3632		2.5301	1.1670
N3	1.1670	2.5301		3.6971
N4	2.5301	1.1670	3.6971

Number	Element	Mulliken
1	C	0.417
2	C	0.417
3	N	-0.417
4	N	-0.417

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B3LYPultrafine/3-21G

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>	68.174
(<r²>)^1/2	8.257

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)