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	hartrees
Energy at 0K	-185.589427
Energy at 298.15K	-185.588627
HF Energy	-185.360596
Nuclear repulsion energy	76.673941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2354	2258	0.00
2	Σ_g	875	840	0.00
3	Σ_u	2179	2091	2.45
4	Π_g	533	511	0.00
5	Π_g	533	511	0.00
6	Π_u	247	237	20.34
7	Π_u	247	237	20.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.679
C2	0.000	0.000	-0.679
N3	0.000	0.000	1.847
N4	0.000	0.000	-1.847

	C1	C2	N3	N4
C1		1.3579	1.1677	2.5256
C2	1.3579		2.5256	1.1677
N3	1.1677	2.5256		3.6933
N4	2.5256	1.1677	3.6933

Number	Element	Mulliken
1	C	0.030
2	C	0.030
3	N	-0.030
4	N	-0.030

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B2PLYP/cc-pVTZ

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>	68.605
(<r²>)^1/2	8.283

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)