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	hartrees
Energy at 0K	-185.533783
Energy at 298.15K	-185.532975
HF Energy	-185.533783
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2343	2297	0.00
2	Σ_g	874	857	0.00
3	Σ_u	2188	2145	0.14
4	Π_g	549	538	0.00
4	Π_g	549	538	0.00
5	Π_u	244	239	17.96
5	Π_u	244	239	17.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.690
C2	0.000	0.000	-0.690
N3	0.000	0.000	1.865
N4	0.000	0.000	-1.865

	C1	C2	N3	N4
C1		1.3793	1.1750	2.5543
C2	1.3793		2.5543	1.1750
N3	1.1750	2.5543		3.7293
N4	2.5543	1.1750	3.7293

Number	Element	Mulliken
1	C	0.421
2	C	0.421
3	N	-0.421
4	N	-0.421

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B97D3/6-31G*

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>	68.965
(<r²>)^1/2	8.305

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)