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	hartrees
Energy at 0K	-185.620128
Energy at 298.15K	-185.619363
HF Energy	-185.620128
Nuclear repulsion energy	76.588473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2469	2366	0.00
2	Σ_g	896	858	0.00
3	Σ_u	2284	2189	0.00
4	Π_g	546	523	0.00
4	Π_g	546	523	0.00
5	Π_u	251	240	20.83
5	Π_u	251	240	20.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.691
C2	0.000	0.000	-0.691
N3	0.000	0.000	1.851
N4	0.000	0.000	-1.851

	C1	C2	N3	N4
C1		1.3817	1.1603	2.5420
C2	1.3817		2.5420	1.1603
N3	1.1603	2.5420		3.7023
N4	2.5420	1.1603	3.7023

Number	Element	Mulliken
1	C	0.286
2	C	0.286
3	N	-0.286
4	N	-0.286

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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>	68.689
(<r²>)^1/2	8.288

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)