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	hartrees
Energy at 0K	-42.032272
Energy at 298.15K	-42.030509
HF Energy	-41.197184
Nuclear repulsion energy	65.302835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2199	2095	0.00
2	Σ_g	1984	1890	0.00
3	Σ_g	591	563	0.00
4	Σ_u	2099	2000	2.73
5	Σ_u	1136	1082	2.90
6	Π_g	689	657	0.00
6	Π_g	689	657	0.00
7	Π_g	306	292	0.00
7	Π_g	306	292	0.00
8	Π_u	491	468	2.76
8	Π_u	491	468	2.76
9	Π_u	134	128	9.64
9	Π_u	134	128	9.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.618
C2	0.000	0.000	-0.618
C3	0.000	0.000	2.000
C4	0.000	0.000	-2.000
N5	0.000	0.000	3.195
N6	0.000	0.000	-3.195

	C1	C2	C3	C4	N5	N6
C1		1.2363	1.3814	2.6177	2.5772	3.8135
C2	1.2363		2.6177	1.3814	3.8135	2.5772
C3	1.3814	2.6177		3.9991	1.1958	5.1949
C4	2.6177	1.3814	3.9991		5.1949	1.1958
N5	2.5772	3.8135	1.1958	5.1949		6.3907
N6	3.8135	2.5772	5.1949	1.1958	6.3907

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/CEP-121G*

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/CEP-121G*

States and conformations

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