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	hartrees
Energy at 0K	-192.867224
Energy at 298.15K	-192.868649
HF Energy	-192.867224
Nuclear repulsion energy	122.102818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	3118	0.00
2	A₁	1947	1947	0.00
3	A₁	1440	1440	0.00
4	A₁	750	750	0.00
5	B₁	699	699	0.00
6	B₂	3117	3117	5.11
7	B₂	2220	2220	160.75
8	B₂	1510	1510	15.40
9	B₂	1326	1326	10.17
10	E	3193	3193	1.67
10	E	3193	3193	1.67
11	E	1004	1004	0.09
11	E	1004	1004	0.09
12	E	844	844	56.09
12	E	844	844	56.09
13	E	525	525	0.52
13	E	525	525	0.52
14	E	325	325	0.21
14	E	325	325	0.21
15	E	151	151	4.33
15	E	151	151	4.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.276
C3	0.000	0.000	-1.276
C4	0.000	0.000	2.589
C5	0.000	0.000	-2.589
H6	0.000	0.928	3.153
H7	0.000	-0.928	3.153
H8	0.928	0.000	-3.153
H9	-0.928	0.000	-3.153

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2761	1.2761	2.5889	2.5889	3.2871	3.2871	3.2871	3.2871
C2	1.2761		2.5523	1.3128	3.8650	2.0942	2.0942	4.5257	4.5257
C3	1.2761	2.5523		3.8650	1.3128	4.5257	4.5257	2.0942	2.0942
C4	2.5889	1.3128	3.8650		5.1778	1.0865	1.0865	5.8168	5.8168
C5	2.5889	3.8650	1.3128	5.1778		5.8168	5.8168	1.0865	1.0865
H6	3.2871	2.0942	4.5257	1.0865	5.8168		1.8569	6.4418	6.4418
H7	3.2871	2.0942	4.5257	1.0865	5.8168	1.8569		6.4418	6.4418
H8	3.2871	4.5257	2.0942	5.8168	1.0865	6.4418	6.4418		1.8569
H9	3.2871	4.5257	2.0942	5.8168	1.0865	6.4418	6.4418	1.8569

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	121.293
C2	C4	H7	121.293	C3	C5	H8	121.293
C3	C5	H9	121.293	H6	C4	H7	117.414
H8	C5	H9	117.414

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: TPSSh/6-311G**

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	0.120
2	C	-0.115
3	C	-0.115
4	C	-0.235
5	C	-0.235
6	H	0.145
7	H	0.145
8	H	0.145
9	H	0.145

<r²>	159.928
(<r²>)^1/2	12.646

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)