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	hartrees
Energy at 0K	-260.303894
Energy at 298.15K	-260.302173
Nuclear repulsion energy	143.394995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2340	2305	0.00
2	Σ_g	2163	2130	0.00
3	Σ_g	628	618	0.00
4	Σ_u	2303	2269	9.09
5	Σ_u	1219	1200	0.03
6	Π_g	665	655	0.00
6	Π_g	665	655	0.00
7	Π_g	303	299	0.00
7	Π_g	303	299	0.00
8	Π_u	550	542	4.33
8	Π_u	550	542	4.33
9	Π_u	121	119	10.10
9	Π_u	121	119	10.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.614
C2	0.000	0.000	-0.614
C3	0.000	0.000	1.965
C4	0.000	0.000	-1.965
N5	0.000	0.000	3.141
N6	0.000	0.000	-3.141

	C1	C2	C3	C4	N5	N6
C1		1.2271	1.3518	2.5789	2.5276	3.7546
C2	1.2271		2.5789	1.3518	3.7546	2.5276
C3	1.3518	2.5789		3.9308	1.1757	5.1065
C4	2.5789	1.3518	3.9308		5.1065	1.1757
N5	2.5276	3.7546	1.1757	5.1065		6.2822
N6	3.7546	2.5276	5.1065	1.1757	6.2822

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: LSDA/6-31+G**

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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Number	Element	Mulliken
1	C	1.759
2	C	1.759
3	C	-1.195
4	C	-1.195
5	N	-0.564
6	N	-0.564

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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