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	hartrees
Energy at 0K	-185.598970
Energy at 298.15K	-185.598160
HF Energy	-185.598970
Nuclear repulsion energy	76.591232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2337	2304	0.00
2	Σ_g	869	857	0.00
3	Σ_u	2180	2149	0.43
4	Π_g	536	528	0.00
4	Π_g	536	528	0.00
5	Π_u	242	239	19.24
5	Π_u	242	239	19.24

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	1.851
N4	0.000	0.000	-1.851

	C1	C2	N3	N4
C1		1.3733	1.1638	2.5372
C2	1.3733		2.5372	1.1638
N3	1.1638	2.5372		3.7010
N4	2.5372	1.1638	3.7010

Number	Element	Mulliken
1	C	0.011
2	C	0.011
3	N	-0.011
4	N	-0.011

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B97D3/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>	68.409
(<r²>)^1/2	8.271

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)