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	hartrees
Energy at 0K	-192.236624
Energy at 298.15K	-192.237518
HF Energy	-191.536109
Nuclear repulsion energy	121.772681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3018	0.00
2	A₁	1977	1841	0.00
3	A₁	1498	1396	0.00
4	A₁	761	709	0.00
5	B₁	708	660	0.00
6	B₂	3238	3017	1.76
7	B₂	2259	2104	116.78
8	B₂	1566	1459	5.51
9	B₂	1353	1260	9.47
10	E	3329	3101	1.23
10	E	3329	3101	1.23
11	E	1043	972	0.04
11	E	1043	972	0.04
12	E	860	802	62.32
12	E	860	802	62.32
13	E	381	355	0.02
13	E	381	355	0.02
14	E	207	193	1.29
14	E	207	193	1.29
15	E	152	141	4.28
15	E	152	141	4.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.282
C3	0.000	0.000	-1.282
C4	0.000	0.000	2.600
C5	0.000	0.000	-2.600
H6	0.000	0.925	3.157
H7	0.000	-0.925	3.157
H8	0.925	0.000	-3.157
H9	-0.925	0.000	-3.157

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2823	1.2823	2.5998	2.5998	3.2897	3.2897	3.2897	3.2897
C2	1.2823		2.5646	1.3175	3.8820	2.0905	2.0905	4.5346	4.5346
C3	1.2823	2.5646		3.8820	1.3175	4.5346	4.5346	2.0905	2.0905
C4	2.5998	1.3175	3.8820		5.1995	1.0797	1.0797	5.8306	5.8306
C5	2.5998	3.8820	1.3175	5.1995		5.8306	5.8306	1.0797	1.0797
H6	3.2897	2.0905	4.5346	1.0797	5.8306		1.8496	6.4481	6.4481
H7	3.2897	2.0905	4.5346	1.0797	5.8306	1.8496		6.4481	6.4481
H8	3.2897	4.5346	2.0905	5.8306	1.0797	6.4481	6.4481		1.8496
H9	3.2897	4.5346	2.0905	5.8306	1.0797	6.4481	6.4481	1.8496

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	121.074
C2	C4	H7	121.074	C3	C5	H8	121.074
C3	C5	H9	121.074	H6	C4	H7	117.852
H8	C5	H9	117.852

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)