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	hartrees
Energy at 0K	-185.651159
Energy at 298.15K	-185.650417
HF Energy	-185.651159
Nuclear repulsion energy	77.226705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2472	2369	0.00
2	Σ_g	890	853	0.00
3	Σ_u	2299	2204	0.00
4	Π_g	558	535	0.00
4	Π_g	558	535	0.00
5	Π_u	254	244	21.67
5	Π_u	254	244	21.67

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	1.836
N4	0.000	0.000	-1.836

	C1	C2	N3	N4
C1		1.3747	1.1488	2.5235
C2	1.3747		2.5235	1.1488
N3	1.1488	2.5235		3.6723
N4	2.5235	1.1488	3.6723

Number	Element	Mulliken
1	C	0.369
2	C	0.369
3	N	-0.369
4	N	-0.369

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B1B95/aug-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>	67.775
(<r²>)^1/2	8.233

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)