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	hartrees
Energy at 0K	-184.613277
Energy at 298.15K	-184.612657
HF Energy	-184.613277
Nuclear repulsion energy	77.418003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2721	2478	0.00
2	Σ_g	922	840	0.00
3	Σ_u	2515	2290	4.09
4	Π_g	598	545	0.00
4	Π_g	598	545	0.00
5	Π_u	279	254	27.03
5	Π_u	279	254	27.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.700
C2	0.000	0.000	-0.700
N3	0.000	0.000	1.834
N4	0.000	0.000	-1.834

	C1	C2	N3	N4
C1		1.3992	1.1343	2.5335
C2	1.3992		2.5335	1.1343
N3	1.1343	2.5335		3.6678
N4	2.5335	1.1343	3.6678

Number	Element	Mulliken
1	C	0.267
2	C	0.267
3	N	-0.267
4	N	-0.267

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: HF/aug-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>	68.228
(<r²>)^1/2	8.260

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)