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	hartrees
Energy at 0K	-184.662864
Energy at 298.15K	-184.662080
HF Energy	-184.662864
Nuclear repulsion energy	77.037521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2382	2359	0.00
2	Σ_g	893	885	0.00
3	Σ_u	2215	2194	0.35
4	Π_g	546	541	0.00
4	Π_g	546	541	0.00
5	Π_u	244	242	21.37
5	Π_u	244	242	21.37

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	1.840
N4	0.000	0.000	-1.840

	C1	C2	N3	N4
C1		1.3620	1.1586	2.5206
C2	1.3620		2.5206	1.1586
N3	1.1586	2.5206		3.6791
N4	2.5206	1.1586	3.6791

Number	Element	Mulliken
1	C	0.463
2	C	0.463
3	N	-0.463
4	N	-0.463

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: LSDA/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>	67.943
(<r²>)^1/2	8.243

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)