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	hartrees
Energy at 0K	-192.719809
Energy at 298.15K	-192.721392
HF Energy	-192.719809
Nuclear repulsion energy	122.108409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3015	0.00
2	A₁	2001	1898	0.00
3	A₁	1468	1392	0.00
4	A₁	767	728	0.00
5	B₁	705	668	0.00
6	B₂	3178	3014	2.75
7	B₂	2299	2181	180.90
8	B₂	1555	1475	11.30
9	B₂	1352	1283	8.53
10	E	3261	3093	1.40
10	E	3261	3093	1.40
11	E	1034	980	0.25
11	E	1034	980	0.25
12	E	881	836	64.18
12	E	881	836	64.18
13	E	583	553	0.05
13	E	583	553	0.05
14	E	353	334	0.16
14	E	353	334	0.16
15	E	155	147	3.06
15	E	155	147	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.278
C3	0.000	0.000	-1.278
C4	0.000	0.000	2.588
C5	0.000	0.000	-2.588
H6	0.000	0.930	3.152
H7	0.000	-0.930	3.152
H8	0.930	0.000	-3.152
H9	-0.930	0.000	-3.152

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2782	1.2782	2.5882	2.5882	3.2859	3.2859	3.2859	3.2859
C2	1.2782		2.5563	1.3101	3.8664	2.0915	2.0915	4.5264	4.5264
C3	1.2782	2.5563		3.8664	1.3101	4.5264	4.5264	2.0915	2.0915
C4	2.5882	1.3101	3.8664		5.1765	1.0870	1.0870	5.8147	5.8147
C5	2.5882	3.8664	1.3101	5.1765		5.8147	5.8147	1.0870	1.0870
H6	3.2859	2.0915	4.5264	1.0870	5.8147		1.8592	6.4390	6.4390
H7	3.2859	2.0915	4.5264	1.0870	5.8147	1.8592		6.4390	6.4390
H8	3.2859	4.5264	2.0915	5.8147	1.0870	6.4390	6.4390		1.8592
H9	3.2859	4.5264	2.0915	5.8147	1.0870	6.4390	6.4390	1.8592

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	121.223
C2	C4	H7	121.223	C3	C5	H8	121.223
C3	C5	H9	121.223	H6	C4	H7	117.555
H8	C5	H9	117.555

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: wB97X-D/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	0.658
2	C	-0.101
3	C	-0.101
4	C	-0.634
5	C	-0.634
6	H	0.203
7	H	0.203
8	H	0.203
9	H	0.203

<r²>	159.624
(<r²>)^1/2	12.634

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)