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	hartrees
Energy at 0K	-192.650755
Energy at 298.15K	-192.652247
HF Energy	-192.650755
Nuclear repulsion energy	122.566663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	3140	0.00
2	A₁	1973	1973	0.00
3	A₁	1426	1426	0.00
4	A₁	761	761	0.00
5	B₁	699	699	0.00
6	B₂	3139	3139	0.14
7	B₂	2243	2243	230.52
8	B₂	1518	1518	28.97
9	B₂	1326	1326	8.08
10	E	3220	3220	0.01
10	E	3220	3220	0.01
11	E	1000	1000	0.00
11	E	1000	1000	0.00
12	E	859	859	56.54
12	E	859	859	56.54
13	E	542	542	0.92
13	E	542	542	0.92
14	E	343	343	0.11
14	E	343	343	0.11
15	E	151	151	4.94
15	E	151	151	4.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.272
C3	0.000	0.000	-1.272
C4	0.000	0.000	2.578
C5	0.000	0.000	-2.578
H6	0.000	0.928	3.140
H7	0.000	-0.928	3.140
H8	0.928	0.000	-3.140
H9	-0.928	0.000	-3.140

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2722	1.2722	2.5781	2.5781	3.2742	3.2742	3.2742	3.2742
C2	1.2722		2.5445	1.3059	3.8503	2.0855	2.0855	4.5088	4.5088
C3	1.2722	2.5445		3.8503	1.3059	4.5088	4.5088	2.0855	2.0855
C4	2.5781	1.3059	3.8503		5.1562	1.0847	1.0847	5.7929	5.7929
C5	2.5781	3.8503	1.3059	5.1562		5.7929	5.7929	1.0847	1.0847
H6	3.2742	2.0855	4.5088	1.0847	5.7929		1.8556	6.4156	6.4156
H7	3.2742	2.0855	4.5088	1.0847	5.7929	1.8556		6.4156	6.4156
H8	3.2742	4.5088	2.0855	5.7929	1.0847	6.4156	6.4156		1.8556
H9	3.2742	4.5088	2.0855	5.7929	1.0847	6.4156	6.4156	1.8556

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	121.201
C2	C4	H7	121.201	C3	C5	H8	121.201
C3	C5	H9	121.201	H6	C4	H7	117.598
H8	C5	H9	117.598

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.085
2	C	-0.015
3	C	-0.015
4	C	-0.177
5	C	-0.177
6	H	0.118
7	H	0.118
8	H	0.118
9	H	0.118

<r²>	158.971
(<r²>)^1/2	12.608

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)