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	hartrees
Energy at 0K	-192.309293
Energy at 298.15K	-192.310131
HF Energy	-191.563352
Nuclear repulsion energy	120.981713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1893	1826
2	A₁	724	699
3	B₁	673	649
4	B₂	2145	2070
5	B₂	1299	1253
6	B₂	382	369
7	B₂	382	369
8	B₂	220	212
9	B₂	218	210
10	B₂	144	139
10	B₂	142	137
11	E	3219	3105
11	E	3218	3105
12	E	3132	3022
12	E	3131	3021
13	E	1501	1448
13	E	1447	1396
14	E	1006	970
14	E	1005	970
15	E	814	785
15	E	814	785

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.288
C3	0.000	0.000	-1.288
C4	0.000	0.000	2.616
C5	0.000	0.000	-2.616
H6	0.000	0.934	3.177
H7	0.000	-0.934	3.177
H8	0.934	0.000	-3.177
H9	-0.934	0.000	-3.177

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2883	1.2883	2.6164	2.6164	3.3113	3.3113	3.3113	3.3113
C2	1.2883		2.5766	1.3281	3.9047	2.1069	2.1069	4.5618	4.5618
C3	1.2883	2.5766		3.9047	1.3281	4.5618	4.5618	2.1069	2.1069
C4	2.6164	1.3281	3.9047		5.2328	1.0891	1.0891	5.8681	5.8681
C5	2.6164	3.9047	1.3281	5.2328		5.8681	5.8681	1.0891	1.0891
H6	3.3113	2.1069	4.5618	1.0891	5.8681		1.8675	6.4896	6.4896
H7	3.3113	2.1069	4.5618	1.0891	5.8681	1.8675		6.4896	6.4896
H8	3.3113	4.5618	2.1069	5.8681	1.0891	6.4896	6.4896		1.8675
H9	3.3113	4.5618	2.1069	5.8681	1.0891	6.4896	6.4896	1.8675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	H6	120.977
C2	C4	H7	120.977	C3	C5	H8	120.977
C3	C5	H9	120.977	H6	C4	H7	118.046
H8	C5	H9	118.046

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD(T)/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 C5H4 (pentatetraene)

using model chemistry: CCSD(T)/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)