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	hartrees
Energy at 0K	-30.248583
Energy at 298.15K	-30.250439
HF Energy	-29.624251
Nuclear repulsion energy	60.044196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3008	0.00
2	A₁	1891	1802	0.00
3	A₁	1457	1388	0.00
4	A₁	728	694	0.00
5	B₁	702	669	0.00
6	B₂	3157	3008	1.00
7	B₂	2162	2060	111.50
8	B₂	1506	1435	2.85
9	B₂	1307	1245	6.22
10	E	3255	3101	1.16
10	E	3255	3101	1.16
11	E	1016	968	0.02
11	E	1016	968	0.02
12	E	834	795	5.19
12	E	834	795	5.19
13	E	781	745	65.04
13	E	781	745	65.04
14	E	379	362	0.05
14	E	379	362	0.05
15	E	175	167	5.07
15	E	175	167	5.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.291
C3	0.000	0.000	-1.291
C4	0.000	0.000	2.623
C5	0.000	0.000	-2.623
H6	0.000	0.934	3.182
H7	0.000	-0.934	3.182
H8	0.934	0.000	-3.182
H9	-0.934	0.000	-3.182

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2909	1.2909	2.6226	2.6226	3.3160	3.3160	3.3160	3.3160
C2	1.2909		2.5818	1.3317	3.9135	2.1089	2.1089	4.5692	4.5692
C3	1.2909	2.5818		3.9135	1.3317	4.5692	4.5692	2.1089	2.1089
C4	2.6226	1.3317	3.9135		5.2451	1.0884	1.0884	5.8790	5.8790
C5	2.6226	3.9135	1.3317	5.2451		5.8790	5.8790	1.0884	1.0884
H6	3.3160	2.1089	4.5692	1.0884	5.8790		1.8675	6.4992	6.4992
H7	3.3160	2.1089	4.5692	1.0884	5.8790	1.8675		6.4992	6.4992
H8	3.3160	4.5692	2.1089	5.8790	1.0884	6.4992	6.4992		1.8675
H9	3.3160	4.5692	2.1089	5.8790	1.0884	6.4992	6.4992	1.8675

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	120.919
C2	C4	H7	120.919	C3	C5	H8	120.919
C3	C5	H9	120.919	H6	C4	H7	118.162
H8	C5	H9	118.162

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)