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	hartrees
Energy at 0K	-190.953262
Energy at 298.15K
HF Energy	-190.454704
Nuclear repulsion energy	120.692282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1870	1814
2	A₁	720	698
3	B₁	707	686
4	B₂	2153	2088
5	B₂	1301	1262
6	E	3176	3080
7	E	3175	3079
8	E	3103	3010
9	E	3103	3009
10	E	1533	1487
10	E	1508	1462
11	E	1075	1043
11	E	1075	1042
12	E	878	851
12	E	878	851
13	E	270	262
13	E	269	261
14	E	130	126
14	E	127	123
15	E	416i	403i
15	E	416i	403i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.290
C3	0.000	0.000	-1.290
C4	0.000	0.000	2.622
C5	0.000	0.000	-2.622
H6	0.000	0.928	3.197
H7	0.000	-0.928	3.197
H8	0.928	0.000	-3.197
H9	-0.928	0.000	-3.197

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2897	1.2897	2.6219	2.6219	3.3287	3.3287	3.3287	3.3287
C2	1.2897		2.5794	1.3323	3.9116	2.1208	2.1208	4.5814	4.5814
C3	1.2897	2.5794		3.9116	1.3323	4.5814	4.5814	2.1208	2.1208
C4	2.6219	1.3323	3.9116		5.2439	1.0915	1.0915	5.8922	5.8922
C5	2.6219	3.9116	1.3323	5.2439		5.8922	5.8922	1.0915	1.0915
H6	3.3287	2.1208	4.5814	1.0915	5.8922		1.8557	6.5268	6.5268
H7	3.3287	2.1208	4.5814	1.0915	5.8922	1.8557		6.5268	6.5268
H8	3.3287	4.5814	2.1208	5.8922	1.0915	6.5268	6.5268		1.8557
H9	3.3287	4.5814	2.1208	5.8922	1.0915	6.5268	6.5268	1.8557

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	121.779
C2	C4	H7	121.779	C3	C5	H8	121.779
C3	C5	H9	121.779	H6	C4	H7	116.441
H8	C5	H9	116.441

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)