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	hartrees
Energy at 0K	-185.726487
Energy at 298.15K	-185.725722
HF Energy	-185.726487
Nuclear repulsion energy	76.859625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2397	2314	0.00
2	Σ_g	880	849	0.00
3	Σ_u	2235	2157	0.05
4	Π_g	551	532	0.00
4	Π_g	551	532	0.00
5	Π_u	250	241	20.27
5	Π_u	250	241	20.27

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	1.844
N4	0.000	0.000	-1.844

	C1	C2	N3	N4
C1		1.3739	1.1575	2.5313
C2	1.3739		2.5313	1.1575
N3	1.1575	2.5313		3.6888
N4	2.5313	1.1575	3.6888

Number	Element	Mulliken
1	C	0.453
2	C	0.453
3	N	-0.453
4	N	-0.453

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: TPSSh/aug-cc-pVTZ

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>	68.219
(<r²>)^1/2	8.259

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)