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	hartrees
Energy at 0K	-185.578712
Energy at 298.15K	-185.577959
HF Energy	-185.578712
Nuclear repulsion energy	76.589202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2504	2375	0.00
2	Σ_g	891	845	0.00
3	Σ_u	2319	2199	0.07
4	Π_g	564	535	0.00
4	Π_g	564	535	0.00
5	Π_u	255	242	19.79
5	Π_u	255	242	19.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.685
C2	0.000	0.000	-0.685
N3	0.000	0.000	1.845
N4	0.000	0.000	-1.845

	C1	C2	N3	N4
C1		1.3698	1.1597	2.5295
C2	1.3698		2.5295	1.1597
N3	1.1597	2.5295		3.6891
N4	2.5295	1.1597	3.6891

Number	Element	Mulliken
1	C	0.409
2	C	0.409
3	N	-0.409
4	N	-0.409

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: wB97X-D/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>	68.441
(<r²>)^1/2	8.273

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)