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	hartrees
Energy at 0K	-185.572084
Energy at 298.15K	-185.571333
HF Energy	-185.572084
Nuclear repulsion energy	76.487448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2454	2348	0.00
2	Σ_g	895	857	0.00
3	Σ_u	2283	2184	0.00
4	Π_g	566	542	0.00
4	Π_g	566	542	0.00
5	Π_u	254	243	19.18
5	Π_u	254	243	19.18

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	1.853
N4	0.000	0.000	-1.853

	C1	C2	N3	N4
C1		1.3795	1.1636	2.5430
C2	1.3795		2.5430	1.1636
N3	1.1636	2.5430		3.7066
N4	2.5430	1.1636	3.7066

Number	Element	Mulliken
1	C	0.434
2	C	0.434
3	N	-0.434
4	N	-0.434

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B3PW91/6-31G*

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>	68.433
(<r²>)^1/2	8.272

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)