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	hartrees
Energy at 0K	-191.559825
Energy at 298.15K	-191.561624
HF Energy	-191.559825
Nuclear repulsion energy	123.229574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	2981	0.00
2	A₁	2091	1891	0.00
3	A₁	1563	1414	0.00
4	A₁	797	721	0.00
5	B₁	750	678	0.00
6	B₂	3294	2979	11.65
7	B₂	2403	2174	286.30
8	B₂	1646	1489	6.37
9	B₂	1415	1280	18.45
10	E	3377	3055	3.40
10	E	3377	3055	3.40
11	E	1113	1007	0.03
11	E	1113	1007	0.03
12	E	989	894	59.44
12	E	989	894	59.44
13	E	586	530	0.70
13	E	586	530	0.70
14	E	378	342	0.08
14	E	378	342	0.08
15	E	164	148	5.41
15	E	164	148	5.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.267
C3	0.000	0.000	-1.267
C4	0.000	0.000	2.565
C5	0.000	0.000	-2.565
H6	0.000	0.921	3.121
H7	0.000	-0.921	3.121
H8	0.921	0.000	-3.121
H9	-0.921	0.000	-3.121

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2670	1.2670	2.5653	2.5653	3.2539	3.2539	3.2539	3.2539
C2	1.2670		2.5340	1.2983	3.8323	2.0701	2.0701	4.4834	4.4834
C3	1.2670	2.5340		3.8323	1.2983	4.4834	4.4834	2.0701	2.0701
C4	2.5653	1.2983	3.8323		5.1307	1.0759	1.0759	5.7602	5.7602
C5	2.5653	3.8323	1.2983	5.1307		5.7602	5.7602	1.0759	1.0759
H6	3.2539	2.0701	4.4834	1.0759	5.7602		1.8429	6.3760	6.3760
H7	3.2539	2.0701	4.4834	1.0759	5.7602	1.8429		6.3760	6.3760
H8	3.2539	4.4834	2.0701	5.7602	1.0759	6.3760	6.3760		1.8429
H9	3.2539	4.4834	2.0701	5.7602	1.0759	6.3760	6.3760	1.8429

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	121.078
C2	C4	H7	121.078	C3	C5	H8	121.078
C3	C5	H9	121.078	H6	C4	H7	117.845
H8	C5	H9	117.845

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HF/6-311G*

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	0.239
2	C	-0.165
3	C	-0.165
4	C	-0.462
5	C	-0.462
6	H	0.254
7	H	0.254
8	H	0.254
9	H	0.254

<r²>	157.586
(<r²>)^1/2	12.553

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)