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	hartrees
Energy at 0K	-185.654611
Energy at 298.15K	-185.653858
HF Energy	-185.654611
Nuclear repulsion energy	76.465556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2443	2341	0.00
2	Σ_g	892	855	0.00
3	Σ_u	2276	2181	0.01
4	Π_g	564	541	0.00
4	Π_g	564	541	0.00
5	Π_u	255	244	19.36
5	Π_u	255	244	19.36

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	1.854
N4	0.000	0.000	-1.854

	C1	C2	N3	N4
C1		1.3802	1.1637	2.5440
C2	1.3802		2.5440	1.1637
N3	1.1637	2.5440		3.7077
N4	2.5440	1.1637	3.7077

Number	Element	Mulliken
1	C	0.419
2	C	0.419
3	N	-0.419
4	N	-0.419

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B3LYPultrafine/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>	68.501
(<r²>)^1/2	8.277

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)