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	hartrees
Energy at 0K	-185.593068
Energy at 298.15K	-185.592326
HF Energy	-185.593068
Nuclear repulsion energy	76.512536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2502	2383	0.00
2	Σ_g	891	848	0.00
3	Σ_u	2306	2197	0.18
4	Π_g	557	531	0.00
4	Π_g	557	531	0.00
5	Π_u	256	244	17.78
5	Π_u	256	244	17.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.694
C2	0.000	0.000	-0.694
N3	0.000	0.000	1.853
N4	0.000	0.000	-1.853

	C1	C2	N3	N4
C1		1.3880	1.1593	2.5473
C2	1.3880		2.5473	1.1593
N3	1.1593	2.5473		3.7066
N4	2.5473	1.1593	3.7066

Number	Element	Mulliken
1	C	0.050
2	C	0.050
3	N	-0.050
4	N	-0.050

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: wB97X-D/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>	68.546
(<r²>)^1/2	8.279

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)