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	hartrees
Energy at 0K	-185.693697
Energy at 298.15K	-185.692887
HF Energy	-185.693697
Nuclear repulsion energy	76.385766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2319	2313	0.00
2	Σ_g	866	864	0.00
3	Σ_u	2167	2162	0.12
4	Π_g	536	535	0.00
4	Π_g	536	535	0.00
5	Π_u	244	243	17.92
5	Π_u	244	243	17.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.688
C2	0.000	0.000	-0.688
N3	0.000	0.000	1.855
N4	0.000	0.000	-1.855

	C1	C2	N3	N4
C1		1.3751	1.1678	2.5429
C2	1.3751		2.5429	1.1678
N3	1.1678	2.5429		3.7107
N4	2.5429	1.1678	3.7107

Number	Element	Mulliken
1	C	0.026
2	C	0.026
3	N	-0.026
4	N	-0.026

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: BLYP/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>	68.984
(<r²>)^1/2	8.306

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)