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	hartrees
Energy at 0K	-192.250186
Energy at 298.15K
HF Energy	-191.540489
Nuclear repulsion energy	120.525894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3157	0.00
2	A₁	1933	1933	0.00
3	A₁	1448	1448	0.00
4	A₁	741	741	0.00
5	B₁	679	679	0.00
6	B₂	3157	3157	3.07
7	B₂	2216	2216	118.10
8	B₂	1516	1516	6.48
9	B₂	1317	1317	8.31
10	E	3250	3250	0.78
10	E	3250	3250	0.78
11	E	990	990	0.48
11	E	990	990	0.48
12	E	864	864	45.18
12	E	864	864	45.18
13	E	317	317	0.04
13	E	317	317	0.04
14	E	139	139	5.16
14	E	139	139	5.16
15	E	555i	555i	0.26
15	E	555i	555i	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.295
C3	0.000	0.000	-1.295
C4	0.000	0.000	2.626
C5	0.000	0.000	-2.626
H6	0.000	0.938	3.188
H7	0.000	-0.938	3.188
H8	0.938	0.000	-3.188
H9	-0.938	0.000	-3.188

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2950	1.2950	2.6258	2.6258	3.3231	3.3231	3.3231	3.3231
C2	1.2950		2.5900	1.3308	3.9208	2.1127	2.1127	4.5800	4.5800
C3	1.2950	2.5900		3.9208	1.3308	4.5800	4.5800	2.1127	2.1127
C4	2.6258	1.3308	3.9208		5.2516	1.0937	1.0937	5.8889	5.8889
C5	2.6258	3.9208	1.3308	5.2516		5.8889	5.8889	1.0937	1.0937
H6	3.3231	2.1127	4.5800	1.0937	5.8889		1.8764	6.5124	6.5124
H7	3.3231	2.1127	4.5800	1.0937	5.8889	1.8764		6.5124	6.5124
H8	3.3231	4.5800	2.1127	5.8889	1.0937	6.5124	6.5124		1.8764
H9	3.3231	4.5800	2.1127	5.8889	1.0937	6.5124	6.5124	1.8764

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	120.927
C2	C4	H7	120.927	C3	C5	H8	120.927
C3	C5	H9	120.927	H6	C4	H7	118.147
H8	C5	H9	118.147

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)