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	hartrees
Energy at 0K	-192.471376
Energy at 298.15K
HF Energy	-192.318049
Nuclear repulsion energy	121.244709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3164	0.00
2	A₁	1950	1950	0.00
3	A₁	1502	1502	0.00
4	A₁	747	747	0.00
5	B₁	712	712	0.00
6	B₂	3163	3163	3.96
7	B₂	2240	2240	119.77
8	B₂	1545	1545	6.58
9	B₂	1346	1346	9.59
10	E	3243	3243	5.16
10	E	3243	3243	5.16
11	E	1059	1059	0.68
11	E	1059	1059	0.68
12	E	904	904	72.11
12	E	904	904	72.11
13	E	348	348	0.21
13	E	348	348	0.21
14	E	175	175	1.97
14	E	175	175	1.97
15	E	66i	66i	1.20
15	E	66i	66i	1.20

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	2.610
C5	0.000	0.000	-2.610
H6	0.000	0.924	3.182
H7	0.000	-0.924	3.182
H8	0.924	0.000	-3.182
H9	-0.924	0.000	-3.182

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2859	1.2859	2.6095	2.6095	3.3133	3.3133	3.3133	3.3133
C2	1.2859		2.5718	1.3236	3.8954	2.1090	2.1090	4.5623	4.5623
C3	1.2859	2.5718		3.8954	1.3236	4.5623	4.5623	2.1090	2.1090
C4	2.6095	1.3236	3.8954		5.2190	1.0867	1.0867	5.8646	5.8646
C5	2.6095	3.8954	1.3236	5.2190		5.8646	5.8646	1.0867	1.0867
H6	3.3133	2.1090	4.5623	1.0867	5.8646		1.8474	6.4965	6.4965
H7	3.3133	2.1090	4.5623	1.0867	5.8646	1.8474		6.4965	6.4965
H8	3.3133	4.5623	2.1090	5.8646	1.0867	6.4965	6.4965		1.8474
H9	3.3133	4.5623	2.1090	5.8646	1.0867	6.4965	6.4965	1.8474

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	121.786
C2	C4	H7	121.786	C3	C5	H8	121.786
C3	C5	H9	121.786	H6	C4	H7	116.428
H8	C5	H9	116.428

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.140
2	C	0.023
3	C	0.023
4	C	-0.288
5	C	-0.288
6	H	0.168
7	H	0.168
8	H	0.168
9	H	0.168

<r²>	162.409
(<r²>)^1/2	12.744

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)