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	hartrees
Energy at 0K	-192.389102
Energy at 298.15K	-192.390509
HF Energy	-191.595733
Nuclear repulsion energy	122.026836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3164	0.00
2	A₁	1951	1951	0.00
3	A₁	1467	1467	0.00
4	A₁	749	749	0.00
5	B₁	696	696	0.00
6	B₂	3164	3164	1.04
7	B₂	2229	2229	135.69
8	B₂	1536	1536	8.17
9	B₂	1331	1331	7.77
10	E	3249	3249	0.27
10	E	3249	3249	0.27
11	E	1030	1030	0.24
11	E	1030	1030	0.24
12	E	876	876	50.13
12	E	876	876	50.13
13	E	512	512	0.57
13	E	512	512	0.57
14	E	320	320	0.16
14	E	320	320	0.16
15	E	148	148	4.60
15	E	148	148	4.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.279
C3	0.000	0.000	-1.279
C4	0.000	0.000	2.593
C5	0.000	0.000	-2.593
H6	0.000	0.928	3.148
H7	0.000	-0.928	3.148
H8	0.928	0.000	-3.148
H9	-0.928	0.000	-3.148

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2789	1.2789	2.5930	2.5930	3.2824	3.2824	3.2824	3.2824
C2	1.2789		2.5578	1.3141	3.8719	2.0873	2.0873	4.5236	4.5236
C3	1.2789	2.5578		3.8719	1.3141	4.5236	4.5236	2.0873	2.0873
C4	2.5930	1.3141	3.8719		5.1860	1.0816	1.0816	5.8160	5.8160
C5	2.5930	3.8719	1.3141	5.1860		5.8160	5.8160	1.0816	1.0816
H6	3.2824	2.0873	4.5236	1.0816	5.8160		1.8562	6.4323	6.4323
H7	3.2824	2.0873	4.5236	1.0816	5.8160	1.8562		6.4323	6.4323
H8	3.2824	4.5236	2.0873	5.8160	1.0816	6.4323	6.4323		1.8562
H9	3.2824	4.5236	2.0873	5.8160	1.0816	6.4323	6.4323	1.8562

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	120.901
C2	C4	H7	120.901	C3	C5	H8	120.901
C3	C5	H9	120.901	H6	C4	H7	118.198
H8	C5	H9	118.198

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)