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	hartrees
Energy at 0K	-192.186192
Energy at 298.15K	-192.186722
HF Energy	-191.535131
Nuclear repulsion energy	121.356813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3023	0.00
2	A₁	1933	1818	0.00
3	A₁	1475	1388	0.00
4	A₁	746	702	0.00
5	B₁	707	665	0.00
6	B₂	3213	3022	0.20
7	B₂	2211	2080	131.94
8	B₂	1532	1441	4.20
9	B₂	1331	1252	8.31
10	E	3309	3112	0.26
10	E	3309	3112	0.26
11	E	1023	962	0.05
11	E	1023	962	0.05
12	E	830	781	67.57
12	E	830	781	67.57
13	E	363	341	0.00
13	E	363	341	0.00
14	E	158	149	5.33
14	E	158	149	5.33
15	E	109	103	0.25
15	E	109	103	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.285
C3	0.000	0.000	-1.285
C4	0.000	0.000	2.609
C5	0.000	0.000	-2.609
H6	0.000	0.928	3.167
H7	0.000	-0.928	3.167
H8	0.928	0.000	-3.167
H9	-0.928	0.000	-3.167

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2854	1.2854	2.6093	2.6093	3.3004	3.3004	3.3004	3.3004
C2	1.2854		2.5707	1.3239	3.8946	2.0982	2.0982	4.5483	4.5483
C3	1.2854	2.5707		3.8946	1.3239	4.5483	4.5483	2.0982	2.0982
C4	2.6093	1.3239	3.8946		5.2186	1.0828	1.0828	5.8506	5.8506
C5	2.6093	3.8946	1.3239	5.2186		5.8506	5.8506	1.0828	1.0828
H6	3.3004	2.0982	4.5483	1.0828	5.8506		1.8560	6.4690	6.4690
H7	3.3004	2.0982	4.5483	1.0828	5.8506	1.8560		6.4690	6.4690
H8	3.3004	4.5483	2.0982	5.8506	1.0828	6.4690	6.4690		1.8560
H9	3.3004	4.5483	2.0982	5.8506	1.0828	6.4690	6.4690	1.8560

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	121.016
C2	C4	H7	121.016	C3	C5	H8	121.016
C3	C5	H9	121.016	H6	C4	H7	117.969
H8	C5	H9	117.969

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)