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	hartrees
Energy at 0K	-192.785768
Energy at 298.15K	-192.787254
HF Energy	-192.785768
Nuclear repulsion energy	122.667433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3014	0.00
2	A₁	1987	1897	0.00
3	A₁	1444	1379	0.00
4	A₁	763	729	0.00
5	B₁	702	671	0.00
6	B₂	3155	3013	0.07
7	B₂	2283	2180	259.69
8	B₂	1535	1466	27.69
9	B₂	1336	1276	9.68
10	E	3241	3095	0.08
10	E	3241	3095	0.08
11	E	1020	974	0.10
11	E	1020	974	0.10
12	E	885	845	65.89
12	E	885	845	65.89
13	E	538	513	0.78
13	E	538	513	0.78
14	E	338	323	0.17
14	E	338	323	0.17
15	E	144	137	5.27
15	E	144	137	5.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.272
C3	0.000	0.000	-1.272
C4	0.000	0.000	2.576
C5	0.000	0.000	-2.576
H6	0.000	0.929	3.135
H7	0.000	-0.929	3.135
H8	0.929	0.000	-3.135
H9	-0.929	0.000	-3.135

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2717	1.2717	2.5759	2.5759	3.2695	3.2695	3.2695	3.2695
C2	1.2717		2.5434	1.3042	3.8477	2.0819	2.0819	4.5033	4.5033
C3	1.2717	2.5434		3.8477	1.3042	4.5033	4.5033	2.0819	2.0819
C4	2.5759	1.3042	3.8477		5.1519	1.0843	1.0843	5.7857	5.7857
C5	2.5759	3.8477	1.3042	5.1519		5.7857	5.7857	1.0843	1.0843
H6	3.2695	2.0819	4.5033	1.0843	5.7857		1.8585	6.4056	6.4056
H7	3.2695	2.0819	4.5033	1.0843	5.7857	1.8585		6.4056	6.4056
H8	3.2695	4.5033	2.0819	5.7857	1.0843	6.4056	6.4056		1.8585
H9	3.2695	4.5033	2.0819	5.7857	1.0843	6.4056	6.4056	1.8585

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	121.018
C2	C4	H7	121.018	C3	C5	H8	121.018
C3	C5	H9	121.018	H6	C4	H7	117.963
H8	C5	H9	117.963

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.013
2	C	0.021
3	C	0.021
4	C	-0.342
5	C	-0.342
6	H	0.157
7	H	0.157
8	H	0.157
9	H	0.157

<r²>	158.647
(<r²>)^1/2	12.596

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)