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	hartrees
Energy at 0K	-185.534106
Energy at 298.15K	-185.533409
HF Energy	-185.534106
Nuclear repulsion energy	75.788361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2453	2453	0.00
2	Σ_g	882	882	0.00
3	Σ_u	2222	2222	0.95
4	Π_g	591	591	0.00
4	Π_g	591	591	0.00
5	Π_u	263	263	12.36
5	Π_u	263	263	12.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.694
C2	0.000	0.000	-0.694
N3	0.000	0.000	1.870
N4	0.000	0.000	-1.870

	C1	C2	N3	N4
C1		1.3876	1.1763	2.5639
C2	1.3876		2.5639	1.1763
N3	1.1763	2.5639		3.7401
N4	2.5639	1.1763	3.7401

Number	Element	Mulliken
1	C	-0.043
2	C	-0.043
3	N	0.043
4	N	0.043

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: wB97X-D/SDD

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>	69.835
(<r²>)^1/2	8.357

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)