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	hartrees
Energy at 0K	-185.610578
Energy at 298.15K	-185.609849
HF Energy	-185.610578
Nuclear repulsion energy	76.552320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2481	2377	0.00
2	Σ_g	902	864	0.00
3	Σ_u	2296	2200	0.14
4	Π_g	563	539	0.00
4	Π_g	563	539	0.00
5	Π_u	257	247	17.63
5	Π_u	257	247	17.63

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		1.3813	1.1613	2.5426
C2	1.3813		2.5426	1.1613
N3	1.1613	2.5426		3.7039
N4	2.5426	1.1613	3.7039

Number	Element	Mulliken
1	C	0.076
2	C	0.076
3	N	-0.076
4	N	-0.076

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: mPW1PW91/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>	68.372
(<r²>)^1/2	8.269

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)