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	hartrees
Energy at 0K	-153.058076
Energy at 298.15K	-153.056275
HF Energy	-152.491683
Nuclear repulsion energy	76.349680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3476	3343
2	Σ_g	2214	2129
3	Σ_g	898	864
4	Σ_u	3477	3344
5	Σ_u	2029	1951
6	Π_g	598	575
6	Π_g	598	575
7	Π_g	231	222
7	Π_g	231	222
8	Π_u	433	416
8	Π_u	433	416
9	Π_u	228	219
9	Π_u	228	219

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.689
C2	0.000	0.000	-0.689
C3	0.000	0.000	1.914
C4	0.000	0.000	-1.914
H5	0.000	0.000	2.984
H6	0.000	0.000	-2.984

	C1	C2	C3	C4	H5	H6
C1		1.3786	1.2250	2.6035	2.2950	3.6736
C2	1.3786		2.6035	1.2250	3.6736	2.2950
C3	1.2250	2.6035		3.8285	1.0701	4.8986
C4	2.6035	1.2250	3.8285		4.8986	1.0701
H5	2.2950	3.6736	1.0701	4.8986		5.9686
H6	3.6736	2.2950	4.8986	1.0701	5.9686

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	C4	180.000		C1	C3	H5	180.000
C2	C1	C3	180.000		C2	C4	H6	180.000

All results from a given calculation for C₄H₂ (Diacetylene)

using model chemistry: MP4=FULL/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 C4H2 (Diacetylene)

using model chemistry: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₂ (Diacetylene)