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	hartrees
Energy at 0K	-192.516192
Energy at 298.15K	-192.517658
HF Energy	-191.589607
Nuclear repulsion energy	122.041491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1912	1841
2	A₁	734	707
3	B₁	694	669
4	B₂	2193	2112
5	B₂	1308	1260
6	B₂	516	497
7	B₂	516	497
8	B₂	340	328
9	B₂	340	328
10	B₂	155	149
10	B₂	152	147
11	E	3224	3105
11	E	3224	3104
12	E	3154	3037
12	E	3150	3033
13	E	1506	1450
13	E	1451	1397
14	E	1011	974
14	E	1010	973
15	E	862	830
15	E	862	830

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	2.594
C5	0.000	0.000	-2.594
H6	0.000	0.927	3.149
H7	0.000	-0.927	3.149
H8	0.927	0.000	-3.149
H9	-0.927	0.000	-3.149

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2767	1.2767	2.5936	2.5936	3.2822	3.2822	3.2822	3.2822
C2	1.2767		2.5534	1.3169	3.8704	2.0888	2.0888	4.5214	4.5214
C3	1.2767	2.5534		3.8704	1.3169	4.5214	4.5214	2.0888	2.0888
C4	2.5936	1.3169	3.8704		5.1873	1.0803	1.0803	5.8166	5.8166
C5	2.5936	3.8704	1.3169	5.1873		5.8166	5.8166	1.0803	1.0803
H6	3.2822	2.0888	4.5214	1.0803	5.8166		1.8537	6.4322	6.4322
H7	3.2822	2.0888	4.5214	1.0803	5.8166	1.8537		6.4322	6.4322
H8	3.2822	4.5214	2.0888	5.8166	1.0803	6.4322	6.4322		1.8537
H9	3.2822	4.5214	2.0888	5.8166	1.0803	6.4322	6.4322	1.8537

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	120.912
C2	C4	H7	120.912	C3	C5	H8	120.912
C3	C5	H9	120.912	H6	C4	H7	118.176
H8	C5	H9	118.176

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)