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	hartrees
Energy at 0K	-261.226610
Energy at 298.15K	-261.224475
HF Energy	-260.280184
Nuclear repulsion energy	142.644263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2263	2137	0.00
2	Σ_g	2051	1937	0.00
3	Σ_g	606	572	0.00
4	Σ_u	2175	2055	3.84
5	Σ_u	1168	1103	2.01
6	Π_g	526	497	0.00
6	Π_g	526	497	0.00
7	Π_g	258	244	0.00
7	Π_g	258	244	0.00
8	Π_u	495	468	7.31
8	Π_u	495	468	7.31
9	Π_u	109	103	10.28
9	Π_u	109	103	10.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.613
C2	0.000	0.000	-0.613
C3	0.000	0.000	1.976
C4	0.000	0.000	-1.976
N5	0.000	0.000	3.158
N6	0.000	0.000	-3.158

	C1	C2	C3	C4	N5	N6
C1		1.2253	1.3636	2.5889	2.5456	3.7709
C2	1.2253		2.5889	1.3636	3.7709	2.5456
C3	1.3636	2.5889		3.9526	1.1820	5.1345
C4	2.5889	1.3636	3.9526		5.1345	1.1820
N5	2.5456	3.7709	1.1820	5.1345		6.3165
N6	3.7709	2.5456	5.1345	1.1820	6.3165

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: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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