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	hartrees
Energy at 0K	-185.611866
Energy at 298.15K	-185.611099
HF Energy	-185.611866
Nuclear repulsion energy	76.655334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2477	2372	0.00
2	Σ_g	895	857	0.00
3	Σ_u	2292	2195	0.00
4	Π_g	545	522	0.00
4	Π_g	545	522	0.00
5	Π_u	251	240	20.64
5	Π_u	251	240	20.64

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	1.850
N4	0.000	0.000	-1.850

	C1	C2	N3	N4
C1		1.3815	1.1589	2.5403
C2	1.3815		2.5403	1.1589
N3	1.1589	2.5403		3.6992
N4	2.5403	1.1589	3.6992

Number	Element	Mulliken
1	C	0.219
2	C	0.219
3	N	-0.219
4	N	-0.219

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B1B95/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>	68.582
(<r²>)^1/2	8.281

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)