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	hartrees
Energy at 0K	-185.597287
Energy at 298.15K	-185.596480
HF Energy	-185.597287
Nuclear repulsion energy	76.555080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2344	2310	0.00
2	Σ_g	871	858	0.00
3	Σ_u	2189	2157	0.32
4	Π_g	540	532	0.00
4	Π_g	540	532	0.00
5	Π_u	242	239	18.04
5	Π_u	242	239	18.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.686
C2	0.000	0.000	-0.686
N3	0.000	0.000	1.851
N4	0.000	0.000	-1.851

	C1	C2	N3	N4
C1		1.3730	1.1648	2.5378
C2	1.3730		2.5378	1.1648
N3	1.1648	2.5378		3.7026
N4	2.5378	1.1648	3.7026

Number	Element	Mulliken
1	C	0.008
2	C	0.008
3	N	-0.008
4	N	-0.008

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B97D3/TZVP

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>	68.559
(<r²>)^1/2	8.280

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)