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	hartrees
Energy at 0K	-192.206561
Energy at 298.15K	-192.207849
HF Energy	-191.535198
Nuclear repulsion energy	120.564860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3032	0.00
2	A₁	1957	1872	0.00
3	A₁	1452	1389	0.00
4	A₁	747	715	0.00
5	B₁	684	654	0.00
6	B₂	3168	3031	2.05
7	B₂	2239	2142	55.89
8	B₂	1529	1463	1.77
9	B₂	1325	1268	2.94
10	E	3264	3123	1.07
10	E	3264	3123	1.07
11	E	1022	978	0.04
11	E	1022	978	0.04
12	E	859	822	47.37
12	E	859	822	47.37
13	E	477	457	0.05
13	E	477	457	0.05
14	E	299	286	0.25
14	E	299	286	0.25
15	E	148	142	3.28
15	E	148	142	3.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.295
C3	0.000	0.000	-1.295
C4	0.000	0.000	2.624
C5	0.000	0.000	-2.624
H6	0.000	0.940	3.187
H7	0.000	-0.940	3.187
H8	0.940	0.000	-3.187
H9	-0.940	0.000	-3.187

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2951	1.2951	2.6235	2.6235	3.3232	3.3232	3.3232	3.3232
C2	1.2951		2.5902	1.3284	3.9187	2.1131	2.1131	4.5801	4.5801
C3	1.2951	2.5902		3.9187	1.3284	4.5801	4.5801	2.1131	2.1131
C4	2.6235	1.3284	3.9187		5.2471	1.0964	1.0964	5.8866	5.8866
C5	2.6235	3.9187	1.3284	5.2471		5.8866	5.8866	1.0964	1.0964
H6	3.3232	2.1131	4.5801	1.0964	5.8866		1.8805	6.5121	6.5121
H7	3.3232	2.1131	4.5801	1.0964	5.8866	1.8805		6.5121	6.5121
H8	3.3232	4.5801	2.1131	5.8866	1.0964	6.5121	6.5121		1.8805
H9	3.3232	4.5801	2.1131	5.8866	1.0964	6.5121	6.5121	1.8805

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	120.952
C2	C4	H7	120.952	C3	C5	H8	120.952
C3	C5	H9	120.952	H6	C4	H7	118.096
H8	C5	H9	118.096

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCD/cc-pVDZ

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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All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)