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	hartrees
Energy at 0K	-192.386641
Energy at 298.15K	-192.388055
HF Energy	-191.596126
Nuclear repulsion energy	122.205687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3187	0.00
2	A₁	1967	1967	0.00
3	A₁	1470	1470	0.00
4	A₁	756	756	0.00
5	B₁	704	704	0.00
6	B₂	3186	3186	0.08
7	B₂	2244	2244	139.02
8	B₂	1543	1543	10.28
9	B₂	1340	1340	7.16
10	E	3272	3272	0.11
10	E	3272	3272	0.11
11	E	1031	1031	0.24
11	E	1031	1031	0.24
12	E	874	874	52.34
12	E	874	874	52.34
13	E	511	511	0.51
13	E	511	511	0.51
14	E	321	321	0.20
14	E	321	321	0.20
15	E	149	149	4.44
15	E	149	149	4.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.277
C3	0.000	0.000	-1.277
C4	0.000	0.000	2.589
C5	0.000	0.000	-2.589
H6	0.000	0.927	3.143
H7	0.000	-0.927	3.143
H8	0.927	0.000	-3.143
H9	-0.927	0.000	-3.143

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2773	1.2773	2.5892	2.5892	3.2771	3.2771	3.2771	3.2771
C2	1.2773		2.5545	1.3119	3.8665	2.0836	2.0836	4.5166	4.5166
C3	1.2773	2.5545		3.8665	1.3119	4.5166	4.5166	2.0836	2.0836
C4	2.5892	1.3119	3.8665		5.1784	1.0801	1.0801	5.8069	5.8069
C5	2.5892	3.8665	1.3119	5.1784		5.8069	5.8069	1.0801	1.0801
H6	3.2771	2.0836	4.5166	1.0801	5.8069		1.8546	6.4216	6.4216
H7	3.2771	2.0836	4.5166	1.0801	5.8069	1.8546		6.4216	6.4216
H8	3.2771	4.5166	2.0836	5.8069	1.0801	6.4216	6.4216		1.8546
H9	3.2771	4.5166	2.0836	5.8069	1.0801	6.4216	6.4216	1.8546

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	120.854
C2	C4	H7	120.854	C3	C5	H8	120.854
C3	C5	H9	120.854	H6	C4	H7	118.291
H8	C5	H9	118.291

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP3/Def2TZVPP

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: MP3/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)