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	hartrees
Energy at 0K	-261.192008
Energy at 298.15K	-261.189243
HF Energy	-260.334585
Nuclear repulsion energy	142.740156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2259	2141	0.00
2	Σ_g	2051	1944	0.00
3	Σ_g	604	573	0.00
4	Σ_u	2172	2059	2.21
5	Σ_u	1163	1103	2.12
6	Π_g	377	358	0.00
6	Π_g	377	358	0.00
7	Π_g	162	154	0.00
7	Π_g	162	154	0.00
8	Π_u	446	423	5.71
8	Π_u	446	423	5.71
9	Π_u	102	97	9.35
9	Π_u	102	97	9.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.612
C2	0.000	0.000	-0.612
C3	0.000	0.000	1.977
C4	0.000	0.000	-1.977
N5	0.000	0.000	3.156
N6	0.000	0.000	-3.156

	C1	C2	C3	C4	N5	N6
C1		1.2232	1.3657	2.5890	2.5447	3.7679
C2	1.2232		2.5890	1.3657	3.7679	2.5447
C3	1.3657	2.5890		3.9547	1.1790	5.1337
C4	2.5890	1.3657	3.9547		5.1337	1.1790
N5	2.5447	3.7679	1.1790	5.1337		6.3126
N6	3.7679	2.5447	5.1337	1.1790	6.3126

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/TZVP

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/TZVP

States and conformations

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