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	hartrees
Energy at 0K	-192.611408
Energy at 298.15K	-192.612815
HF Energy	-192.383007
Nuclear repulsion energy	121.682314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3017	0.00
2	A₁	1945	1849	0.00
3	A₁	1461	1389	0.00
4	A₁	752	715	0.00
5	B₁	697	663	0.00
6	B₂	3172	3016	1.06
7	B₂	2219	2110	179.34
8	B₂	1527	1452	13.54
9	B₂	1331	1266	14.41
10	E	3257	3097	0.58
10	E	3257	3097	0.58
11	E	1021	971	0.06
11	E	1021	971	0.06
12	E	850	809	66.73
12	E	850	809	66.73
13	E	506	481	0.57
13	E	506	481	0.57
14	E	325	309	0.21
14	E	325	309	0.21
15	E	156	149	5.29
15	E	156	149	5.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.281
C3	0.000	0.000	-1.281
C4	0.000	0.000	2.600
C5	0.000	0.000	-2.600
H6	0.000	0.927	3.162
H7	0.000	-0.927	3.162
H8	0.927	0.000	-3.162
H9	-0.927	0.000	-3.162

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2815	1.2815	2.6002	2.6002	3.2955	3.2955	3.2955	3.2955
C2	1.2815		2.5630	1.3187	3.8817	2.0971	2.0971	4.5396	4.5396
C3	1.2815	2.5630		3.8817	1.3187	4.5396	4.5396	2.0971	2.0971
C4	2.6002	1.3187	3.8817		5.2003	1.0845	1.0845	5.8366	5.8366
C5	2.6002	3.8817	1.3187	5.2003		5.8366	5.8366	1.0845	1.0845
H6	3.2955	2.0971	4.5396	1.0845	5.8366		1.8549	6.4592	6.4592
H7	3.2955	2.0971	4.5396	1.0845	5.8366	1.8549		6.4592	6.4592
H8	3.2955	4.5396	2.0971	5.8366	1.0845	6.4592	6.4592		1.8549
H9	3.2955	4.5396	2.0971	5.8366	1.0845	6.4592	6.4592	1.8549

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	121.220
C2	C4	H7	121.220	C3	C5	H8	121.220
C3	C5	H9	121.220	H6	C4	H7	117.559
H8	C5	H9	117.559

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)