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	hartrees
Energy at 0K	-192.455319
Energy at 298.15K	-192.456760
HF Energy	-191.595951
Nuclear repulsion energy	122.145921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3168	0.00
2	A₁	1928	1928	0.00
3	A₁	1451	1451	0.00
4	A₁	743	743	0.00
5	B₁	705	705	0.00
6	B₂	3168	3168	0.43
7	B₂	2202	2202	150.41
8	B₂	1513	1513	9.15
9	B₂	1321	1321	6.18
10	E	3258	3258	0.10
10	E	3258	3258	0.10
11	E	1013	1013	0.01
11	E	1013	1013	0.01
12	E	843	843	54.52
12	E	843	843	54.52
13	E	532	532	0.55
13	E	532	532	0.55
14	E	330	330	0.10
14	E	330	330	0.10
15	E	151	151	4.56
15	E	151	151	4.56

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	2.591
C5	0.000	0.000	-2.591
H6	0.000	0.927	3.144
H7	0.000	-0.927	3.144
H8	0.927	0.000	-3.144
H9	-0.927	0.000	-3.144

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2765	1.2765	2.5911	2.5911	3.2782	3.2782	3.2782	3.2782
C2	1.2765		2.5530	1.3146	3.8676	2.0854	2.0854	4.5170	4.5170
C3	1.2765	2.5530		3.8676	1.3146	4.5170	4.5170	2.0854	2.0854
C4	2.5911	1.3146	3.8676		5.1823	1.0799	1.0799	5.8099	5.8099
C5	2.5911	3.8676	1.3146	5.1823		5.8099	5.8099	1.0799	1.0799
H6	3.2782	2.0854	4.5170	1.0799	5.8099		1.8549	6.4239	6.4239
H7	3.2782	2.0854	4.5170	1.0799	5.8099	1.8549		6.4239	6.4239
H8	3.2782	4.5170	2.0854	5.8099	1.0799	6.4239	6.4239		1.8549
H9	3.2782	4.5170	2.0854	5.8099	1.0799	6.4239	6.4239	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	120.812
C2	C4	H7	120.812	C3	C5	H8	120.812
C3	C5	H9	120.812	H6	C4	H7	118.376
H8	C5	H9	118.376

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=FULL/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: MP2=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)