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	hartrees
Energy at 0K	-184.431791
Energy at 298.15K	-184.431444
HF Energy	-184.431791
Nuclear repulsion energy	76.752333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2479	2380	0.00
2	Σ_g	908	871	0.00
3	Σ_u	2273	2182	0.17
4	Π_g	796	764	0.00
4	Π_g	796	764	0.00
5	Π_u	324	311	10.99
5	Π_u	324	311	10.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.681
C2	0.000	0.000	-0.681
N3	0.000	0.000	1.846
N4	0.000	0.000	-1.846

	C1	C2	N3	N4
C1		1.3611	1.1655	2.5266
C2	1.3611		2.5266	1.1655
N3	1.1655	2.5266		3.6921
N4	2.5266	1.1655	3.6921

Number	Element	Mulliken
1	C	0.432
2	C	0.432
3	N	-0.432
4	N	-0.432

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: HSEh1PBE/3-21G*

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>	68.078
(<r²>)^1/2	8.251

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)