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	hartrees
Energy at 0K	-185.597307
Energy at 298.15K	-185.596520
HF Energy	-185.597307
Nuclear repulsion energy	76.617542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2334	2303	0.00
2	Σ_g	869	858	0.00
3	Σ_u	2180	2152	0.33
4	Π_g	551	543	0.00
4	Π_g	551	543	0.00
5	Π_u	245	241	20.15
5	Π_u	245	241	20.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.687
C2	0.000	0.000	-0.687
N3	0.000	0.000	1.850
N4	0.000	0.000	-1.850

	C1	C2	N3	N4
C1		1.3730	1.1634	2.5364
C2	1.3730		2.5364	1.1634
N3	1.1634	2.5364		3.6997
N4	2.5364	1.1634	3.6997

Number	Element	Mulliken
1	C	1.064
2	C	1.064
3	N	-1.064
4	N	-1.064

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B97D3/6-311+G(3df,2p)

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>	68.526
(<r²>)^1/2	8.278

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)