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	hartrees
Energy at 0K	-191.854681
Energy at 298.15K
HF Energy	-191.456679
Nuclear repulsion energy	121.348755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3008	0.00
2	A₁	2003	1873	0.00
3	A₁	1540	1441	0.00
4	A₁	765	716	0.00
5	B₁	733	686	0.00
6	B₂	3214	3006	5.61
7	B₂	2318	2168	95.15
8	B₂	1592	1489	3.56
9	B₂	1375	1286	7.29
10	E	3294	3081	6.68
10	E	3294	3081	6.68
11	E	1094	1023	0.14
11	E	1094	1023	0.14
12	E	965	902	68.49
12	E	965	902	68.49
13	E	286	268	0.53
13	E	286	268	0.53
14	E	133	124	3.13
14	E	133	124	3.13
15	E	577i	540i	0.14
15	E	577i	540i	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.286
C3	0.000	0.000	-1.286
C4	0.000	0.000	2.607
C5	0.000	0.000	-2.607
H6	0.000	0.923	3.178
H7	0.000	-0.923	3.178
H8	0.923	0.000	-3.178
H9	-0.923	0.000	-3.178

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2865	1.2865	2.6073	2.6073	3.3090	3.3090	3.3090	3.3090
C2	1.2865		2.5729	1.3209	3.8938	2.1044	2.1044	4.5585	4.5585
C3	1.2865	2.5729		3.8938	1.3209	4.5585	4.5585	2.1044	2.1044
C4	2.6073	1.3209	3.8938		5.2147	1.0850	1.0850	5.8582	5.8582
C5	2.6073	3.8938	1.3209	5.2147		5.8582	5.8582	1.0850	1.0850
H6	3.3090	2.1044	4.5585	1.0850	5.8582		1.8461	6.4879	6.4879
H7	3.3090	2.1044	4.5585	1.0850	5.8582	1.8461		6.4879	6.4879
H8	3.3090	4.5585	2.1044	5.8582	1.0850	6.4879	6.4879		1.8461
H9	3.3090	4.5585	2.1044	5.8582	1.0850	6.4879	6.4879	1.8461

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	121.709
C2	C4	H7	121.709	C3	C5	H8	121.709
C3	C5	H9	121.709	H6	C4	H7	116.582
H8	C5	H9	116.582

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)