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	hartrees
Energy at 0K	-185.457793
Energy at 298.15K	-185.457026
HF Energy	-185.457793
Nuclear repulsion energy	76.540405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2469	2374	0.00
2	Σ_g	896	862	0.00
3	Σ_u	2283	2195	0.00
4	Π_g	546	525	0.00
4	Π_g	546	525	0.00
5	Π_u	250	240	20.67
5	Π_u	250	240	20.67

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	1.852
N4	0.000	0.000	-1.852

	C1	C2	N3	N4
C1		1.3821	1.1612	2.5433
C2	1.3821		2.5433	1.1612
N3	1.1612	2.5433		3.7045
N4	2.5433	1.1612	3.7045

Number	Element	Mulliken
1	C	0.291
2	C	0.291
3	N	-0.291
4	N	-0.291

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: PBE1PBE/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>	68.775
(<r²>)^1/2	8.293

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)