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	hartrees
Energy at 0K	-191.930524
Energy at 298.15K
HF Energy	-191.452628
Nuclear repulsion energy	120.192921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	2998	0.00
2	A₁	1912	1834	0.00
3	A₁	1505	1444	0.00
4	A₁	729	699	0.00
5	B₁	694	666	0.00
6	B₂	3123	2996	13.46
7	B₂	2198	2109	4.20
8	B₂	1544	1482	0.37
9	B₂	1321	1267	0.83
10	E	3200	3070	10.05
10	E	3200	3070	10.05
11	E	1063	1020	0.07
11	E	1063	1020	0.07
12	E	912	875	56.85
12	E	912	875	56.85
13	E	227	218	0.76
13	E	227	218	0.76
14	E	116	112	2.61
14	E	116	112	2.61
15	E	663i	636i	0.00
15	E	663i	636i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.298
C3	0.000	0.000	-1.298
C4	0.000	0.000	2.633
C5	0.000	0.000	-2.633
H6	0.000	0.929	3.210
H7	0.000	-0.929	3.210
H8	0.929	0.000	-3.210
H9	-0.929	0.000	-3.210

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2980	1.2980	2.6335	2.6335	3.3415	3.3415	3.3415	3.3415
C2	1.2980		2.5960	1.3355	3.9314	2.1255	2.1255	4.6026	4.6026
C3	1.2980	2.5960		3.9314	1.3355	4.6026	4.6026	2.1255	2.1255
C4	2.6335	1.3355	3.9314		5.2669	1.0930	1.0930	5.9167	5.9167
C5	2.6335	3.9314	1.3355	5.2669		5.9167	5.9167	1.0930	1.0930
H6	3.3415	2.1255	4.6026	1.0930	5.9167		1.8572	6.5528	6.5528
H7	3.3415	2.1255	4.6026	1.0930	5.9167	1.8572		6.5528	6.5528
H8	3.3415	4.6026	2.1255	5.9167	1.0930	6.5528	6.5528		1.8572
H9	3.3415	4.6026	2.1255	5.9167	1.0930	6.5528	6.5528	1.8572

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	121.833
C2	C4	H7	121.833	C3	C5	H8	121.833
C3	C5	H9	121.833	H6	C4	H7	116.335
H8	C5	H9	116.335

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCD/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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All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)