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	hartrees
Energy at 0K	-192.573273
Energy at 298.15K	-192.574809
HF Energy	-192.573273
Nuclear repulsion energy	121.930867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3021	0.00
2	A₁	1980	1892	0.00
3	A₁	1432	1368	0.00
4	A₁	764	730	0.00
5	B₁	695	664	0.00
6	B₂	3161	3020	0.08
7	B₂	2261	2160	222.04
8	B₂	1525	1457	27.31
9	B₂	1331	1271	9.35
10	E	3246	3101	0.05
10	E	3246	3101	0.05
11	E	1005	960	0.24
11	E	1005	960	0.24
12	E	860	822	71.59
12	E	860	822	71.59
13	E	564	538	1.12
13	E	564	538	1.12
14	E	345	329	0.17
14	E	345	329	0.17
15	E	156	149	5.53
15	E	156	149	5.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.279
C3	0.000	0.000	-1.279
C4	0.000	0.000	2.593
C5	0.000	0.000	-2.593
H6	0.000	0.930	3.156
H7	0.000	-0.930	3.156
H8	0.930	0.000	-3.156
H9	-0.930	0.000	-3.156

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2794	1.2794	2.5926	2.5926	3.2902	3.2902	3.2902	3.2902
C2	1.2794		2.5588	1.3132	3.8720	2.0945	2.0945	4.5319	4.5319
C3	1.2794	2.5588		3.8720	1.3132	4.5319	4.5319	2.0945	2.0945
C4	2.5926	1.3132	3.8720		5.1852	1.0876	1.0876	5.8234	5.8234
C5	2.5926	3.8720	1.3132	5.1852		5.8234	5.8234	1.0876	1.0876
H6	3.2902	2.0945	4.5319	1.0876	5.8234		1.8605	6.4476	6.4476
H7	3.2902	2.0945	4.5319	1.0876	5.8234	1.8605		6.4476	6.4476
H8	3.2902	4.5319	2.0945	5.8234	1.0876	6.4476	6.4476		1.8605
H9	3.2902	4.5319	2.0945	5.8234	1.0876	6.4476	6.4476	1.8605

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	121.199
C2	C4	H7	121.199	C3	C5	H8	121.199
C3	C5	H9	121.199	H6	C4	H7	117.602
H8	C5	H9	117.602

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: PBE1PBE/6-31+G**

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	0.652
2	C	-0.005
3	C	-0.005
4	C	-0.695
5	C	-0.695
6	H	0.187
7	H	0.187
8	H	0.187
9	H	0.187

<r²>	160.571
(<r²>)^1/2	12.672

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)