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	hartrees
Energy at 0K	-192.213575
Energy at 298.15K	-192.214825
HF Energy	-191.534759
Nuclear repulsion energy	120.438412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	2997	0.00
2	A₁	1944	1841	0.00
3	A₁	1449	1373	0.00
4	A₁	743	704	0.00
5	B₁	680	644	0.00
6	B₂	3163	2996	2.94
7	B₂	2218	2101	80.13
8	B₂	1522	1442	2.34
9	B₂	1319	1250	4.98
10	E	3258	3087	1.14
10	E	3258	3087	1.14
11	E	1019	966	0.03
11	E	1019	966	0.03
12	E	851	807	46.57
12	E	851	807	46.57
13	E	471	446	0.03
13	E	471	446	0.03
14	E	293	277	0.23
14	E	293	277	0.23
15	E	148	140	3.35
15	E	148	140	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.296
C3	0.000	0.000	-1.296
C4	0.000	0.000	2.627
C5	0.000	0.000	-2.627
H6	0.000	0.941	3.191
H7	0.000	-0.941	3.191
H8	0.941	0.000	-3.191
H9	-0.941	0.000	-3.191

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2963	1.2963	2.6267	2.6267	3.3264	3.3264	3.3264	3.3264
C2	1.2963		2.5925	1.3305	3.9230	2.1150	2.1150	4.5844	4.5844
C3	1.2963	2.5925		3.9230	1.3305	4.5844	4.5844	2.1150	2.1150
C4	2.6267	1.3305	3.9230		5.2535	1.0966	1.0966	5.8929	5.8929
C5	2.6267	3.9230	1.3305	5.2535		5.8929	5.8929	1.0966	1.0966
H6	3.3264	2.1150	4.5844	1.0966	5.8929		1.8810	6.5184	6.5184
H7	3.3264	2.1150	4.5844	1.0966	5.8929	1.8810		6.5184	6.5184
H8	3.3264	4.5844	2.1150	5.8929	1.0966	6.5184	6.5184		1.8810
H9	3.3264	4.5844	2.1150	5.8929	1.0966	6.5184	6.5184	1.8810

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	120.944
C2	C4	H7	120.944	C3	C5	H8	120.944
C3	C5	H9	120.944	H6	C4	H7	118.111
H8	C5	H9	118.111

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD/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/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)