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	hartrees
Energy at 0K	-192.622226
Energy at 298.15K	-192.623557
HF Energy	-192.622226
Nuclear repulsion energy	121.731736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3050	3029	0.00
2	A₁	1908	1895	0.00
3	A₁	1379	1369	0.00
4	A₁	738	733	0.00
5	B₁	677	672	0.00
6	B₂	3049	3028	1.21
7	B₂	2168	2153	173.18
8	B₂	1462	1452	28.01
9	B₂	1287	1278	6.47
10	E	3122	3100	0.33
10	E	3122	3100	0.33
11	E	963	957	0.02
11	E	963	957	0.02
12	E	800	794	54.18
12	E	800	794	54.18
13	E	514	511	0.47
13	E	514	511	0.47
14	E	323	321	0.16
14	E	323	321	0.16
15	E	146	145	4.28
15	E	146	145	4.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.280
C3	0.000	0.000	-1.280
C4	0.000	0.000	2.596
C5	0.000	0.000	-2.596
H6	0.000	0.933	3.164
H7	0.000	-0.933	3.164
H8	0.933	0.000	-3.164
H9	-0.933	0.000	-3.164

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2798	1.2798	2.5956	2.5956	3.2990	3.2990	3.2990	3.2990
C2	1.2798		2.5596	1.3158	3.8754	2.1028	2.1028	4.5411	4.5411
C3	1.2798	2.5596		3.8754	1.3158	4.5411	4.5411	2.1028	2.1028
C4	2.5956	1.3158	3.8754		5.1911	1.0927	1.0927	5.8350	5.8350
C5	2.5956	3.8754	1.3158	5.1911		5.8350	5.8350	1.0927	1.0927
H6	3.2990	2.1028	4.5411	1.0927	5.8350		1.8658	6.4648	6.4648
H7	3.2990	2.1028	4.5411	1.0927	5.8350	1.8658		6.4648	6.4648
H8	3.2990	4.5411	2.1028	5.8350	1.0927	6.4648	6.4648		1.8658
H9	3.2990	4.5411	2.1028	5.8350	1.0927	6.4648	6.4648	1.8658

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	121.372
C2	C4	H7	121.372	C3	C5	H8	121.372
C3	C5	H9	121.372	H6	C4	H7	117.257
H8	C5	H9	117.257

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: PBEPBE/cc-pVTZ

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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Number	Element	Mulliken
1	C	0.708
2	C	-0.193
3	C	-0.193
4	C	-0.412
5	C	-0.412
6	H	0.125
7	H	0.125
8	H	0.125
9	H	0.125

<r²>	160.978
(<r²>)^1/2	12.688

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)