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	hartrees
Energy at 0K	-192.736863
Energy at 298.15K	-192.738378
HF Energy	-192.736863
Nuclear repulsion energy	121.074768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	3029	0.00
2	A₁	1905	1891	0.00
3	A₁	1414	1403	0.00
4	A₁	738	732	0.00
5	B₁	677	672	0.00
6	B₂	3052	3028	7.53
7	B₂	2170	2153	106.35
8	B₂	1483	1471	8.91
9	B₂	1301	1291	9.40
10	E	3122	3098	3.51
10	E	3122	3098	3.51
11	E	987	979	0.18
11	E	987	979	0.18
12	E	798	792	50.84
12	E	798	792	50.84
13	E	596	591	0.00
13	E	596	591	0.00
14	E	347	345	0.13
14	E	347	345	0.13
15	E	159	158	2.19
15	E	159	158	2.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.287
C3	0.000	0.000	-1.287
C4	0.000	0.000	2.611
C5	0.000	0.000	-2.611
H6	0.000	0.932	3.185
H7	0.000	-0.932	3.185
H8	0.932	0.000	-3.185
H9	-0.932	0.000	-3.185

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2870	1.2870	2.6107	2.6107	3.3185	3.3185	3.3185	3.3185
C2	1.2870		2.5740	1.3237	3.8977	2.1145	2.1145	4.5680	4.5680
C3	1.2870	2.5740		3.8977	1.3237	4.5680	4.5680	2.1145	2.1145
C4	2.6107	1.3237	3.8977		5.2215	1.0950	1.0950	5.8701	5.8701
C5	2.6107	3.8977	1.3237	5.2215		5.8701	5.8701	1.0950	1.0950
H6	3.3185	2.1145	4.5680	1.0950	5.8701		1.8648	6.5047	6.5047
H7	3.3185	2.1145	4.5680	1.0950	5.8701	1.8648		6.5047	6.5047
H8	3.3185	4.5680	2.1145	5.8701	1.0950	6.5047	6.5047		1.8648
H9	3.3185	4.5680	2.1145	5.8701	1.0950	6.5047	6.5047	1.8648

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	121.622
C2	C4	H7	121.622	C3	C5	H8	121.622
C3	C5	H9	121.622	H6	C4	H7	116.756
H8	C5	H9	116.756

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: BLYP/6-31G**

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	0.814
2	C	-0.183
3	C	-0.183
4	C	-0.463
5	C	-0.463
6	H	0.119
7	H	0.119
8	H	0.119
9	H	0.119

<r²>	162.402
(<r²>)^1/2	12.744

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)