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	hartrees
Energy at 0K	-189.451167
Energy at 298.15K	-189.452361
HF Energy	-189.120569
Nuclear repulsion energy	120.321073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3415	3035	0.00
2	A₁	2020	1796	0.00
3	A₁	1600	1422	0.00
4	A₁	766	681	0.00
5	B₁	771	685	0.00
6	B₂	3417	3037	51.46
7	B₂	2253	2003	14.10
8	B₂	1639	1457	24.99
9	B₂	1397	1242	5.50
10	E	3557	3162	0.89
10	E	3557	3162	0.89
11	E	1113	989	0.19
11	E	1113	989	0.19
12	E	893	793	21.74
12	E	893	793	21.74
13	E	563	500	0.19
13	E	563	500	0.19
14	E	321	285	0.09
14	E	321	285	0.09
15	E	150	134	0.75
15	E	150	134	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.293
C3	0.000	0.000	-1.293
C4	0.000	0.000	2.627
C5	0.000	0.000	-2.627
H6	0.000	0.938	3.207
H7	0.000	-0.938	3.207
H8	0.938	0.000	-3.207
H9	-0.938	0.000	-3.207

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2928	1.2928	2.6272	2.6272	3.3412	3.3412	3.3412	3.3412
C2	1.2928		2.5856	1.3343	3.9200	2.1314	2.1314	4.5964	4.5964
C3	1.2928	2.5856		3.9200	1.3343	4.5964	4.5964	2.1314	2.1314
C4	2.6272	1.3343	3.9200		5.2543	1.1024	1.1024	5.9089	5.9089
C5	2.6272	3.9200	1.3343	5.2543		5.9089	5.9089	1.1024	1.1024
H6	3.3412	2.1314	4.5964	1.1024	5.9089		1.8753	6.5494	6.5494
H7	3.3412	2.1314	4.5964	1.1024	5.9089	1.8753		6.5494	6.5494
H8	3.3412	4.5964	2.1314	5.9089	1.1024	6.5494	6.5494		1.8753
H9	3.3412	4.5964	2.1314	5.9089	1.1024	6.5494	6.5494	1.8753

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	121.727
C2	C4	H7	121.727	C3	C5	H8	121.727
C3	C5	H9	121.727	H6	C4	H7	116.545
H8	C5	H9	116.545

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)