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	hartrees
Energy at 0K	-261.067872
Energy at 298.15K	-261.065739
HF Energy	-260.268063
Nuclear repulsion energy	142.998733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2512	2358	0.00
2	Σ_g	2306	2165	0.00
3	Σ_g	618	581	0.00
4	Σ_u	2451	2301	5.74
5	Σ_u	1186	1113	0.20
6	Π_g	484	455	0.00
6	Π_g	484	455	0.00
7	Π_g	278	261	0.00
7	Π_g	278	261	0.00
8	Π_u	490	460	5.40
8	Π_u	490	460	5.40
9	Π_u	119	112	10.90
9	Π_u	119	112	10.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	0.000	-0.605
C3	0.000	0.000	1.990
C4	0.000	0.000	-1.990
N5	0.000	0.000	3.152
N6	0.000	0.000	-3.152

	C1	C2	C3	C4	N5	N6
C1		1.2096	1.3853	2.5948	2.5477	3.7572
C2	1.2096		2.5948	1.3853	3.7572	2.5477
C3	1.3853	2.5948		3.9801	1.1624	5.1425
C4	2.5948	1.3853	3.9801		5.1425	1.1624
N5	2.5477	3.7572	1.1624	5.1425		6.3049
N6	3.7572	2.5477	5.1425	1.1624	6.3049

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: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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