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	hartrees
Energy at 0K	-192.813038
Energy at 298.15K	-192.814661
HF Energy	-192.813038
Nuclear repulsion energy	121.907591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3013	0.00
2	A₁	1970	1893	0.00
3	A₁	1449	1392	0.00
4	A₁	761	731	0.00
5	B₁	697	669	0.00
6	B₂	3135	3012	3.43
7	B₂	2245	2157	141.26
8	B₂	1531	1471	9.92
9	B₂	1335	1283	9.07
10	E	3212	3086	1.95
10	E	3212	3086	1.95
11	E	1015	975	0.17
11	E	1015	975	0.17
12	E	850	816	54.72
12	E	850	816	54.72
13	E	603	580	0.02
13	E	603	580	0.02
14	E	358	344	0.12
14	E	358	344	0.12
15	E	162	155	2.51
15	E	162	155	2.51

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	0.928	3.161
H7	0.000	-0.928	3.161
H8	0.928	0.000	-3.161
H9	-0.928	0.000	-3.161

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2793	1.2793	2.5928	2.5928	3.2939	3.2939	3.2939	3.2939
C2	1.2793		2.5585	1.3136	3.8721	2.0976	2.0976	4.5357	4.5357
C3	1.2793	2.5585		3.8721	1.3136	4.5357	4.5357	2.0976	2.0976
C4	2.5928	1.3136	3.8721		5.1857	1.0876	1.0876	5.8277	5.8277
C5	2.5928	3.8721	1.3136	5.1857		5.8277	5.8277	1.0876	1.0876
H6	3.2939	2.0976	4.5357	1.0876	5.8277		1.8554	6.4558	6.4558
H7	3.2939	2.0976	4.5357	1.0876	5.8277	1.8554		6.4558	6.4558
H8	3.2939	4.5357	2.0976	5.8277	1.0876	6.4558	6.4558		1.8554
H9	3.2939	4.5357	2.0976	5.8277	1.0876	6.4558	6.4558	1.8554

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	121.465
C2	C4	H7	121.465	C3	C5	H8	121.465
C3	C5	H9	121.465	H6	C4	H7	117.070
H8	C5	H9	117.070

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B3LYP/6-31G**

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	0.744
2	C	-0.180
3	C	-0.180
4	C	-0.463
5	C	-0.463
6	H	0.136
7	H	0.136
8	H	0.136
9	H	0.136

<r²>	160.318
(<r²>)^1/2	12.662

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)