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	hartrees
Energy at 0K	-258.870888
Energy at 298.15K	-258.869604
HF Energy	-258.870888
Nuclear repulsion energy	143.787982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2370	2328	0.00
2	Σ_g	2159	2120	0.00
3	Σ_g	630	618	0.00
4	Σ_u	2297	2255	1.09
5	Σ_u	1217	1195	0.03
6	Π_g	926	909	0.00
6	Π_g	926	909	0.00
7	Π_g	341	335	0.00
7	Π_g	341	335	0.00
8	Π_u	708	695	1.54
8	Π_u	708	695	1.54
9	Π_u	117	115	6.31
9	Π_u	117	115	6.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.611
C2	0.000	0.000	-0.611
C3	0.000	0.000	1.954
C4	0.000	0.000	-1.954
N5	0.000	0.000	3.132
N6	0.000	0.000	-3.132

	C1	C2	C3	C4	N5	N6
C1		1.2221	1.3430	2.5652	2.5214	3.7435
C2	1.2221		2.5652	1.3430	3.7435	2.5214
C3	1.3430	2.5652		3.9082	1.1784	5.0866
C4	2.5652	1.3430	3.9082		5.0866	1.1784
N5	2.5214	3.7435	1.1784	5.0866		6.2649
N6	3.7435	2.5214	5.0866	1.1784	6.2649

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: SVWN/3-21G

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: SVWN/3-21G

States and conformations

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