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	hartrees
Energy at 0K	-192.211090
Energy at 298.15K	-192.212336
HF Energy	-191.527368
Nuclear repulsion energy	121.470975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	2996	0.00
2	A₁	1964	1832	0.00
3	A₁	1496	1395	0.00
4	A₁	753	702	0.00
5	B₁	698	651	0.00
6	B₂	3212	2995	7.26
7	B₂	2240	2089	67.81
8	B₂	1561	1456	0.20
9	B₂	1345	1254	6.19
10	E	3301	3078	3.40
10	E	3301	3078	3.40
11	E	1046	975	0.02
11	E	1046	975	0.02
12	E	871	812	46.95
12	E	871	812	46.95
13	E	433	404	0.02
13	E	433	404	0.02
14	E	302	282	0.18
14	E	302	282	0.18
15	E	154	144	2.63
15	E	154	144	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.286
C3	0.000	0.000	-1.286
C4	0.000	0.000	2.606
C5	0.000	0.000	-2.606
H6	0.000	0.926	3.167
H7	0.000	-0.926	3.167
H8	0.926	0.000	-3.167
H9	-0.926	0.000	-3.167

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2856	1.2856	2.6060	2.6060	3.2994	3.2994	3.2994	3.2994
C2	1.2856		2.5711	1.3205	3.8916	2.0968	2.0968	4.5477	4.5477
C3	1.2856	2.5711		3.8916	1.3205	4.5477	4.5477	2.0968	2.0968
C4	2.6060	1.3205	3.8916		5.2121	1.0823	1.0823	5.8467	5.8467
C5	2.6060	3.8916	1.3205	5.2121		5.8467	5.8467	1.0823	1.0823
H6	3.2994	2.0968	4.5477	1.0823	5.8467		1.8512	6.4678	6.4678
H7	3.2994	2.0968	4.5477	1.0823	5.8467	1.8512		6.4678	6.4678
H8	3.2994	4.5477	2.0968	5.8467	1.0823	6.4678	6.4678		1.8512
H9	3.2994	4.5477	2.0968	5.8467	1.0823	6.4678	6.4678	1.8512

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	121.216
C2	C4	H7	121.216	C3	C5	H8	121.216
C3	C5	H9	121.216	H6	C4	H7	117.569
H8	C5	H9	117.569

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD/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 C5H4 (pentatetraene)

using model chemistry: CCSD/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)