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	hartrees
Energy at 0K	-192.274491
Energy at 298.15K
HF Energy	-191.537986
Nuclear repulsion energy	119.901386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1914	1870
2	A₁	737	720
3	B₁	691	675
4	B₂	2178	2128
5	B₂	1321	1291
6	B₂	412	403
7	B₂	412	403
8	B₂	293	286
9	B₂	291	285
10	B₂	153	150
10	B₂	150	147
11	E	3231	3156
11	E	3230	3156
12	E	3149	3077
12	E	3149	3076
13	E	1517	1482
13	E	1465	1431
14	E	1024	1001
14	E	1024	1000
15	E	827	808
15	E	827	808

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.301
C3	0.000	0.000	-1.301
C4	0.000	0.000	2.641
C5	0.000	0.000	-2.641
H6	0.000	0.941	3.204
H7	0.000	-0.941	3.204
H8	0.941	0.000	-3.204
H9	-0.941	0.000	-3.204

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.3007	1.3007	2.6409	2.6409	3.3391	3.3391	3.3391	3.3391
C2	1.3007		2.6014	1.3403	3.9416	2.1231	2.1231	4.6016	4.6016
C3	1.3007	2.6014		3.9416	1.3403	4.6016	4.6016	2.1231	2.1231
C4	2.6409	1.3403	3.9416		5.2819	1.0968	1.0968	5.9199	5.9199
C5	2.6409	3.9416	1.3403	5.2819		5.9199	5.9199	1.0968	1.0968
H6	3.3391	2.1231	4.6016	1.0968	5.9199		1.8829	6.5441	6.5441
H7	3.3391	2.1231	4.6016	1.0968	5.9199	1.8829		6.5441	6.5441
H8	3.3391	4.6016	2.1231	5.9199	1.0968	6.5441	6.5441		1.8829
H9	3.3391	4.6016	2.1231	5.9199	1.0968	6.5441	6.5441	1.8829

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	120.864
C2	C4	H7	120.864	C3	C5	H8	120.864
C3	C5	H9	120.864	H6	C4	H7	118.271
H8	C5	H9	118.271

All results from a given calculation for C₅H₄ (pentatetraene)

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

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)