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	hartrees
Energy at 0K	-185.645207
Energy at 298.15K	-185.644455
HF Energy	-185.645207
Nuclear repulsion energy	77.160235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2493	2385	0.00
2	Σ_g	883	845	0.00
3	Σ_u	2311	2211	0.01
4	Π_g	555	531	0.00
4	Π_g	555	531	0.00
5	Π_u	253	242	22.09
5	Π_u	253	242	22.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.681
C2	0.000	0.000	-0.681
N3	0.000	0.000	1.831
N4	0.000	0.000	-1.831

	C1	C2	N3	N4
C1		1.3620	1.1505	2.5125
C2	1.3620		2.5125	1.1505
N3	1.1505	2.5125		3.6630
N4	2.5125	1.1505	3.6630

Number	Element	Mulliken
1	C	0.486
2	C	0.486
3	N	-0.486
4	N	-0.486

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: wB97X-D/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>	67.961
(<r²>)^1/2	8.244

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)