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	hartrees
Energy at 0K	-192.373049
Energy at 298.15K	-192.374085
HF Energy	-191.583722
Nuclear repulsion energy	122.068986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3006	0.00
2	A₁	1953	1850	0.00
3	A₁	1481	1403	0.00
4	A₁	748	709	0.00
5	B₁	699	663	0.00
6	B₂	3172	3005	4.09
7	B₂	2233	2116	111.00
8	B₂	1542	1461	4.96
9	B₂	1336	1266	8.30
10	E	3257	3086	1.35
10	E	3257	3086	1.35
11	E	1025	971	0.05
11	E	1025	971	0.05
12	E	818	775	53.85
12	E	818	775	53.85
13	E	406	384	0.02
13	E	406	384	0.02
14	E	269	255	0.66
14	E	269	255	0.66
15	E	136	129	4.00
15	E	136	129	4.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.278
C3	0.000	0.000	-1.278
C4	0.000	0.000	2.591
C5	0.000	0.000	-2.591
H6	0.000	0.927	3.150
H7	0.000	-0.927	3.150
H8	0.927	0.000	-3.150
H9	-0.927	0.000	-3.150

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2776	1.2776	2.5915	2.5915	3.2840	3.2840	3.2840	3.2840
C2	1.2776		2.5553	1.3139	3.8691	2.0897	2.0897	4.5240	4.5240
C3	1.2776	2.5553		3.8691	1.3139	4.5240	4.5240	2.0897	2.0897
C4	2.5915	1.3139	3.8691		5.1830	1.0825	1.0825	5.8163	5.8163
C5	2.5915	3.8691	1.3139	5.1830		5.8163	5.8163	1.0825	1.0825
H6	3.2840	2.0897	4.5240	1.0825	5.8163		1.8541	6.4358	6.4358
H7	3.2840	2.0897	4.5240	1.0825	5.8163	1.8541		6.4358	6.4358
H8	3.2840	4.5240	2.0897	5.8163	1.0825	6.4358	6.4358		1.8541
H9	3.2840	4.5240	2.0897	5.8163	1.0825	6.4358	6.4358	1.8541

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	121.086
C2	C4	H7	121.086	C3	C5	H8	121.086
C3	C5	H9	121.086	H6	C4	H7	117.828
H8	C5	H9	117.828

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)