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	hartrees
Energy at 0K	-261.325973
Energy at 298.15K	-261.323819
HF Energy	-260.351195
Nuclear repulsion energy	142.680445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2242	2133	0.00
2	Σ_g	2041	1942	0.00
3	Σ_g	602	573	0.00
4	Σ_u	2161	2056	3.45
5	Σ_u	1160	1104	1.60
6	Π_g	514	489	0.00
6	Π_g	514	489	0.00
7	Π_g	264	252	0.00
7	Π_g	264	252	0.00
8	Π_u	483	459	6.56
8	Π_u	483	459	6.56
9	Π_u	109	104	10.04
9	Π_u	109	104	10.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.610
C2	0.000	0.000	-0.610
C3	0.000	0.000	1.972
C4	0.000	0.000	-1.972
N5	0.000	0.000	3.155
N6	0.000	0.000	-3.155

	C1	C2	C3	C4	N5	N6
C1		1.2193	1.3628	2.5821	2.5452	3.7645
C2	1.2193		2.5821	1.3628	3.7645	2.5452
C3	1.3628	2.5821		3.9449	1.1824	5.1273
C4	2.5821	1.3628	3.9449		5.1273	1.1824
N5	2.5452	3.7645	1.1824	5.1273		6.3097
N6	3.7645	2.5452	5.1273	1.1824	6.3097

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/Def2TZVPP

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/Def2TZVPP

States and conformations

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