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	hartrees
Energy at 0K	-185.496932
Energy at 298.15K	-185.496224
HF Energy	-185.496932
Nuclear repulsion energy	77.020318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2473	2374	0.00
2	Σ_g	897	861	0.00
3	Σ_u	2292	2199	0.00
4	Π_g	578	554	0.00
4	Π_g	578	554	0.00
5	Π_u	260	250	19.56
5	Π_u	260	250	19.56

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	1.841
N4	0.000	0.000	-1.841

	C1	C2	N3	N4
C1		1.3741	1.1537	2.5278
C2	1.3741		2.5278	1.1537
N3	1.1537	2.5278		3.6815
N4	2.5278	1.1537	3.6815

Number	Element	Mulliken
1	C	0.203
2	C	0.203
3	N	-0.203
4	N	-0.203

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: HSEh1PBE/6-311G*

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>	67.941
(<r²>)^1/2	8.243

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)