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	hartrees
Energy at 0K	-185.594648
Energy at 298.15K	-185.593871
HF Energy	-185.594648
Nuclear repulsion energy	76.467590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2442	2356	0.00
2	Σ_g	891	859	0.00
3	Σ_u	2261	2181	0.01
4	Π_g	542	523	0.00
4	Π_g	542	523	0.00
5	Π_u	249	240	20.41
5	Π_u	249	240	20.41

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	1.854
N4	0.000	0.000	-1.854

	C1	C2	N3	N4
C1		1.3816	1.1631	2.5447
C2	1.3816		2.5447	1.1631
N3	1.1631	2.5447		3.7078
N4	2.5447	1.1631	3.7078

Number	Element	Mulliken
1	C	0.247
2	C	0.247
3	N	-0.247
4	N	-0.247

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B3PW91/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>	68.823
(<r²>)^1/2	8.296

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)