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	hartrees
Energy at 0K	-185.468580
Energy at 298.15K	-185.467739
HF Energy	-185.468580
Nuclear repulsion energy	75.863559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2330	2315	0.00
2	Σ_g	873	867	0.00
3	Σ_u	2158	2145	0.39
4	Π_g	523	520	0.00
4	Π_g	523	520	0.00
5	Π_u	237	236	18.16
5	Π_u	237	236	18.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.690
C2	0.000	0.000	-0.690
N3	0.000	0.000	1.868
N4	0.000	0.000	-1.868

	C1	C2	N3	N4
C1		1.3809	1.1774	2.5584
C2	1.3809		2.5584	1.1774
N3	1.1774	2.5584		3.7358
N4	2.5584	1.1774	3.7358

Number	Element	Mulliken
1	C	0.259
2	C	0.259
3	N	-0.259
4	N	-0.259

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: PBEPBEultrafine/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>	69.619
(<r²>)^1/2	8.344

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)