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	hartrees
Energy at 0K	-190.931092
Energy at 298.15K
HF Energy	-190.456322
Nuclear repulsion energy	121.065818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	2983	0.00
2	A₁	1914	1831	0.00
3	A₁	1520	1454	0.00
4	A₁	733	701	0.00
5	B₁	703	672	0.00
6	B₂	3118	2983	5.28
7	B₂	2212	2116	5.02
8	B₂	1553	1485	0.32
9	B₂	1326	1268	0.97
10	E	3188	3049	4.98
10	E	3188	3049	4.98
11	E	1087	1040	0.40
11	E	1087	1040	0.40
12	E	916	876	56.47
12	E	916	876	56.47
13	E	275	263	0.24
13	E	275	263	0.24
14	E	130	124	3.78
14	E	130	124	3.78
15	E	373i	357i	0.26
15	E	373i	357i	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.287
C3	0.000	0.000	-1.287
C4	0.000	0.000	2.613
C5	0.000	0.000	-2.613
H6	0.000	0.927	3.187
H7	0.000	-0.927	3.187
H8	0.927	0.000	-3.187
H9	-0.927	0.000	-3.187

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2868	1.2868	2.6127	2.6127	3.3191	3.3191	3.3191	3.3191
C2	1.2868		2.5735	1.3260	3.8995	2.1142	2.1142	4.5688	4.5688
C3	1.2868	2.5735		3.8995	1.3260	4.5688	4.5688	2.1142	2.1142
C4	2.6127	1.3260	3.8995		5.2255	1.0903	1.0903	5.8734	5.8734
C5	2.6127	3.8995	1.3260	5.2255		5.8734	5.8734	1.0903	1.0903
H6	3.3191	2.1142	4.5688	1.0903	5.8734		1.8535	6.5074	6.5074
H7	3.3191	2.1142	4.5688	1.0903	5.8734	1.8535		6.5074	6.5074
H8	3.3191	4.5688	2.1142	5.8734	1.0903	6.5074	6.5074		1.8535
H9	3.3191	4.5688	2.1142	5.8734	1.0903	6.5074	6.5074	1.8535

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	121.786
C2	C4	H7	121.786	C3	C5	H8	121.786
C3	C5	H9	121.786	H6	C4	H7	116.427
H8	C5	H9	116.427

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)