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	hartrees
Energy at 0K	-30.442442
Energy at 298.15K	-30.443170
HF Energy	-30.442442
Nuclear repulsion energy	59.008792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3034	0.00
2	A₁	1936	1874	0.00
3	A₁	1443	1398	0.00
4	A₁	740	717	0.00
5	B₁	679	657	0.00
6	B₂	3132	3033	12.81
7	B₂	2234	2164	161.30
8	B₂	1503	1456	20.54
9	B₂	1318	1277	10.74
10	E	3218	3116	9.98
10	E	3218	3116	9.98
11	E	992	960	1.99
11	E	992	960	1.99
12	E	875	848	112.26
12	E	875	848	112.26
13	E	429	415	0.02
13	E	429	415	0.02
14	E	169	164	1.75
14	E	169	164	1.75
15	E	123	119	3.96
15	E	123	119	3.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.319
C3	0.000	0.000	-1.319
C4	0.000	0.000	2.674
C5	0.000	0.000	-2.674
H6	0.000	0.938	3.241
H7	0.000	-0.938	3.241
H8	0.938	0.000	-3.241
H9	-0.938	0.000	-3.241

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.3189	1.3189	2.6742	2.6742	3.3743	3.3743	3.3743	3.3743
C2	1.3189		2.6379	1.3552	3.9931	2.1390	2.1390	4.6558	4.6558
C3	1.3189	2.6379		3.9931	1.3552	4.6558	4.6558	2.1390	2.1390
C4	2.6742	1.3552	3.9931		5.3483	1.0960	1.0960	5.9894	5.9894
C5	2.6742	3.9931	1.3552	5.3483		5.9894	5.9894	1.0960	1.0960
H6	3.3743	2.1390	4.6558	1.0960	5.9894		1.8756	6.6170	6.6170
H7	3.3743	2.1390	4.6558	1.0960	5.9894	1.8756		6.6170	6.6170
H8	3.3743	4.6558	2.1390	5.9894	1.0960	6.6170	6.6170		1.8756
H9	3.3743	4.6558	2.1390	5.9894	1.0960	6.6170	6.6170	1.8756

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	121.166
C2	C4	H7	121.166	C3	C5	H8	121.166
C3	C5	H9	121.166	H6	C4	H7	117.668
H8	C5	H9	117.668

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B3LYP/CEP-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	-0.517
2	C	-0.092
3	C	-0.092
4	C	-0.049
5	C	-0.049
6	H	0.200
7	H	0.200
8	H	0.200
9	H	0.200

<r²>	133.522
(<r²>)^1/2	11.555

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)