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	hartrees
Energy at 0K	-185.707092
Energy at 298.15K	-185.706354
HF Energy	-185.707092
Nuclear repulsion energy	76.741825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2409	2320	0.00
2	Σ_g	884	852	0.00
3	Σ_u	2235	2153	0.03
4	Π_g	568	547	0.00
4	Π_g	568	547	0.00
5	Π_u	256	246	18.53
5	Π_u	256	246	18.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.687
C2	0.000	0.000	-0.687
N3	0.000	0.000	1.847
N4	0.000	0.000	-1.847

	C1	C2	N3	N4
C1		1.3733	1.1604	2.5337
C2	1.3733		2.5337	1.1604
N3	1.1604	2.5337		3.6941
N4	2.5337	1.1604	3.6941

Number	Element	Mulliken
1	C	0.231
2	C	0.231
3	N	-0.231
4	N	-0.231

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: TPSSh/6-311G*

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>	68.224
(<r²>)^1/2	8.260

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)