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	hartrees
Energy at 0K	-192.805944
Energy at 298.15K	-192.807278
HF Energy	-192.805944
Nuclear repulsion energy	121.612072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3040	3033	0.00
2	A₁	1892	1888	0.00
3	A₁	1405	1401	0.00
4	A₁	735	733	0.00
5	B₁	676	675	0.00
6	B₂	3040	3032	4.38
7	B₂	2153	2148	161.59
8	B₂	1469	1465	22.64
9	B₂	1294	1291	13.08
10	E	3107	3099	1.36
10	E	3107	3099	1.36
11	E	983	981	0.20
11	E	983	981	0.20
12	E	812	810	60.73
12	E	812	810	60.73
13	E	513	512	0.70
13	E	513	512	0.70
14	E	320	319	0.18
14	E	320	319	0.18
15	E	147	146	4.44
15	E	147	146	4.44

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	2.599
C5	0.000	0.000	-2.599
H6	0.000	0.931	3.170
H7	0.000	-0.931	3.170
H8	0.931	0.000	-3.170
H9	-0.931	0.000	-3.170

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2805	1.2805	2.5987	2.5987	3.3037	3.3037	3.3037	3.3037
C2	1.2805		2.5609	1.3183	3.8792	2.1062	2.1062	4.5466	4.5466
C3	1.2805	2.5609		3.8792	1.3183	4.5466	4.5466	2.1062	2.1062
C4	2.5987	1.3183	3.8792		5.1975	1.0919	1.0919	5.8432	5.8432
C5	2.5987	3.8792	1.3183	5.1975		5.8432	5.8432	1.0919	1.0919
H6	3.3037	2.1062	4.5466	1.0919	5.8432		1.8613	6.4750	6.4750
H7	3.3037	2.1062	4.5466	1.0919	5.8432	1.8613		6.4750	6.4750
H8	3.3037	4.5466	2.1062	5.8432	1.0919	6.4750	6.4750		1.8613
H9	3.3037	4.5466	2.1062	5.8432	1.0919	6.4750	6.4750	1.8613

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	121.539
C2	C4	H7	121.539	C3	C5	H8	121.539
C3	C5	H9	121.539	H6	C4	H7	116.922
H8	C5	H9	116.922

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: BLYP/TZVP

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	-0.028
2	C	0.021
3	C	0.021
4	C	-0.290
5	C	-0.290
6	H	0.142
7	H	0.142
8	H	0.142
9	H	0.142

<r²>	161.667
(<r²>)^1/2	12.715

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)