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	hartrees
Energy at 0K	-190.923110
Energy at 298.15K
HF Energy	-190.457653
Nuclear repulsion energy	121.422584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3155	0.00
2	A₁	1942	1942	0.00
3	A₁	1530	1530	0.00
4	A₁	747	747	0.00
5	B₁	726	726	0.00
6	B₂	3154	3154	2.13
7	B₂	2245	2245	38.33
8	B₂	1566	1566	1.42
9	B₂	1345	1345	4.24
10	E	3225	3225	3.83
10	E	3225	3225	3.83
11	E	1094	1094	0.60
11	E	1094	1094	0.60
12	E	917	917	62.52
12	E	917	917	62.52
13	E	283	283	0.35
13	E	283	283	0.35
14	E	133	133	3.68
14	E	133	133	3.68
15	E	408i	408i	0.05
15	E	408i	408i	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.283
C3	0.000	0.000	-1.283
C4	0.000	0.000	2.605
C5	0.000	0.000	-2.605
H6	0.000	0.924	3.178
H7	0.000	-0.924	3.178
H8	0.924	0.000	-3.178
H9	-0.924	0.000	-3.178

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2833	1.2833	2.6048	2.6048	3.3093	3.3093	3.3093	3.3093
C2	1.2833		2.5667	1.3215	3.8882	2.1078	2.1078	4.5556	4.5556
C3	1.2833	2.5667		3.8882	1.3215	4.5556	4.5556	2.1078	2.1078
C4	2.6048	1.3215	3.8882		5.2097	1.0875	1.0875	5.8558	5.8558
C5	2.6048	3.8882	1.3215	5.2097		5.8558	5.8558	1.0875	1.0875
H6	3.3093	2.1078	4.5556	1.0875	5.8558		1.8490	6.4882	6.4882
H7	3.3093	2.1078	4.5556	1.0875	5.8558	1.8490		6.4882	6.4882
H8	3.3093	4.5556	2.1078	5.8558	1.0875	6.4882	6.4882		1.8490
H9	3.3093	4.5556	2.1078	5.8558	1.0875	6.4882	6.4882	1.8490

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	121.778
C2	C4	H7	121.778	C3	C5	H8	121.778
C3	C5	H9	121.778	H6	C4	H7	116.444
H8	C5	H9	116.444

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)