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	hartrees
Energy at 0K	-190.895766
Energy at 298.15K
HF Energy	-190.456972
Nuclear repulsion energy	121.235974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3001	0.00
2	A₁	1909	1816	0.00
3	A₁	1528	1453	0.00
4	A₁	734	699	0.00
5	B₁	731	696	0.00
6	B₂	3154	3001	0.13
7	B₂	2211	2103	66.68
8	B₂	1554	1479	0.78
9	B₂	1328	1264	4.73
10	E	3230	3073	2.37
10	E	3230	3073	2.37
11	E	1088	1035	1.23
11	E	1088	1035	1.23
12	E	904	860	67.68
12	E	904	860	67.68
13	E	271	257	0.42
13	E	271	257	0.42
14	E	130	123	3.47
14	E	130	123	3.47
15	E	523i	498i	0.00
15	E	523i	498i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.284
C3	0.000	0.000	-1.284
C4	0.000	0.000	2.610
C5	0.000	0.000	-2.610
H6	0.000	0.925	3.182
H7	0.000	-0.925	3.182
H8	0.925	0.000	-3.182
H9	-0.925	0.000	-3.182

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2842	1.2842	2.6097	2.6097	3.3138	3.3138	3.3138	3.3138
C2	1.2842		2.5685	1.3255	3.8940	2.1112	2.1112	4.5611	4.5611
C3	1.2842	2.5685		3.8940	1.3255	4.5611	4.5611	2.1112	2.1112
C4	2.6097	1.3255	3.8940		5.2195	1.0877	1.0877	5.8652	5.8652
C5	2.6097	3.8940	1.3255	5.2195		5.8652	5.8652	1.0877	1.0877
H6	3.3138	2.1112	4.5611	1.0877	5.8652		1.8498	6.4971	6.4971
H7	3.3138	2.1112	4.5611	1.0877	5.8652	1.8498		6.4971	6.4971
H8	3.3138	4.5611	2.1112	5.8652	1.0877	6.4971	6.4971		1.8498
H9	3.3138	4.5611	2.1112	5.8652	1.0877	6.4971	6.4971	1.8498

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	121.748
C2	C4	H7	121.748	C3	C5	H8	121.748
C3	C5	H9	121.748	H6	C4	H7	116.503
H8	C5	H9	116.503

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)