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	hartrees
Energy at 0K	-260.767137
Energy at 298.15K	-260.764937
HF Energy	-260.150798
Nuclear repulsion energy	139.036098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2230	2148	0.00
2	Σ_g	1895	1825	0.00
3	Σ_g	571	550	0.00
4	Σ_u	2033	1958	2.06
5	Σ_u	1099	1059	4.50
6	Π_g	527	508	0.00
6	Π_g	527	508	0.00
7	Π_g	257	248	0.00
7	Π_g	257	248	0.00
8	Π_u	483	465	1.86
8	Π_u	483	465	1.86
9	Π_u	110	106	8.29
9	Π_u	110	106	8.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.625
C2	0.000	0.000	-0.625
C3	0.000	0.000	2.019
C4	0.000	0.000	-2.019
N5	0.000	0.000	3.241
N6	0.000	0.000	-3.241

	C1	C2	C3	C4	N5	N6
C1		1.2498	1.3942	2.6440	2.6157	3.8655
C2	1.2498		2.6440	1.3942	3.8655	2.6157
C3	1.3942	2.6440		4.0382	1.2215	5.2596
C4	2.6440	1.3942	4.0382		5.2596	1.2215
N5	2.6157	3.8655	1.2215	5.2596		6.4811
N6	3.8655	2.6157	5.2596	1.2215	6.4811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	C4	180.000		C1	C3	N5	180.000
C2	C1	C3	180.000		C2	C4	N6	180.000

All results from a given calculation for C₄N₂ (2-Butynedinitrile)

using model chemistry: MP2/LANL2DZ

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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All results from a given calculation for C4N2 (2-Butynedinitrile)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₄N₂ (2-Butynedinitrile)