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	hartrees
Energy at 0K	-192.287938
Energy at 298.15K
HF Energy	-191.538489
Nuclear repulsion energy	120.015915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1881	1834
2	A₁	723	705
3	B₁	672	655
4	B₂	2149	2095
5	B₂	1291	1259
6	E	3230	3150
7	E	3230	3149
8	E	3134	3056
9	E	3133	3056
10	E	1481	1444
10	E	1426	1391
11	E	968	944
11	E	968	944
12	E	818	798
12	E	818	798
13	E	299	292
13	E	299	291
14	E	132	129
14	E	131	127
15	E	584i	569i
15	E	584i	569i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.299
C3	0.000	0.000	-1.299
C4	0.000	0.000	2.638
C5	0.000	0.000	-2.638
H6	0.000	0.940	3.201
H7	0.000	-0.940	3.201
H8	0.940	0.000	-3.201
H9	-0.940	0.000	-3.201

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2994	1.2994	2.6383	2.6383	3.3362	3.3362	3.3362	3.3362
C2	1.2994		2.5988	1.3389	3.9377	2.1213	2.1213	4.5975	4.5975
C3	1.2994	2.5988		3.9377	1.3389	4.5975	4.5975	2.1213	2.1213
C4	2.6383	1.3389	3.9377		5.2767	1.0959	1.0959	5.9145	5.9145
C5	2.6383	3.9377	1.3389	5.2767		5.9145	5.9145	1.0959	1.0959
H6	3.3362	2.1213	4.5975	1.0959	5.9145		1.8810	6.5385	6.5385
H7	3.3362	2.1213	4.5975	1.0959	5.9145	1.8810		6.5385	6.5385
H8	3.3362	4.5975	2.1213	5.9145	1.0959	6.5385	6.5385		1.8810
H9	3.3362	4.5975	2.1213	5.9145	1.0959	6.5385	6.5385	1.8810

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	120.885
C2	C4	H7	120.885	C3	C5	H8	120.885
C3	C5	H9	120.885	H6	C4	H7	118.229
H8	C5	H9	118.229

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)