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	hartrees
Energy at 0K	-183.217358
Energy at 298.15K	-183.216441
HF Energy	-183.217358
Nuclear repulsion energy	74.437190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2446	2150	0.00
2	Σ_g	875	769	0.00
3	Σ_u	2274	1999	58.75
4	Π_g	585	514	0.00
4	Π_g	585	514	0.00
5	Π_u	244	215	11.15
5	Π_u	244	215	11.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.702
C2	0.000	0.000	-0.702
N3	0.000	0.000	1.904
N4	0.000	0.000	-1.904

	C1	C2	N3	N4
C1		1.4050	1.2011	2.6060
C2	1.4050		2.6060	1.2011
N3	1.2011	2.6060		3.8071
N4	2.6060	1.2011	3.8071

Number	Element	Mulliken
1	C	0.096
2	C	0.096
3	N	-0.096
4	N	-0.096

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: mPW1PW91/STO-3G

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>	70.275
(<r²>)^1/2	8.383

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)