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	hartrees
Energy at 0K	-261.171750
Energy at 298.15K	-261.169771
Nuclear repulsion energy	142.703455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2434	2322	0.00
2	Σ_g	2196	2095	0.00
3	Σ_g	599	571	0.00
4	Σ_u	2338	2230	1.32
5	Σ_u	1151	1098	0.79
6	Π_g	566	540	0.00
6	Π_g	566	540	0.00
7	Π_g	280	267	0.00
7	Π_g	280	267	0.00
8	Π_u	507	483	5.35
8	Π_u	507	483	5.35
9	Π_u	116	110	9.29
9	Π_u	116	110	9.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
C3	0.000	0.000	1.995
C4	0.000	0.000	-1.995
N5	0.000	0.000	3.159
N6	0.000	0.000	-3.159

	C1	C2	C3	C4	N5	N6
C1		1.2125	1.3884	2.6008	2.5527	3.7652
C2	1.2125		2.6008	1.3884	3.7652	2.5527
C3	1.3884	2.6008		3.9892	1.1644	5.1536
C4	2.6008	1.3884	3.9892		5.1536	1.1644
N5	2.5527	3.7652	1.1644	5.1536		6.3180
N6	3.7652	2.5527	5.1536	1.1644	6.3180

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: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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