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	hartrees
Energy at 0K	-190.961398
Energy at 298.15K
HF Energy	-190.454793
Nuclear repulsion energy	120.712494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1871	1831
2	A₁	720	705
3	B₁	707	692
4	B₂	2153	2108
5	B₂	1301	1274
6	E	3176	3109
7	E	3176	3108
8	E	3104	3038
9	E	3103	3038
10	E	1534	1501
10	E	1508	1476
11	E	1076	1053
11	E	1076	1053
12	E	879	860
12	E	879	860
13	E	276	271
13	E	275	269
14	E	132	129
14	E	129	126
15	E	387i	378i
15	E	387i	379i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.289
C3	0.000	0.000	-1.289
C4	0.000	0.000	2.621
C5	0.000	0.000	-2.621
H6	0.000	0.928	3.196
H7	0.000	-0.928	3.196
H8	0.928	0.000	-3.196
H9	-0.928	0.000	-3.196

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2894	1.2894	2.6215	2.6215	3.3282	3.3282	3.3282	3.3282
C2	1.2894		2.5789	1.3320	3.9109	2.1205	2.1205	4.5806	4.5806
C3	1.2894	2.5789		3.9109	1.3320	4.5806	4.5806	2.1205	2.1205
C4	2.6215	1.3320	3.9109		5.2430	1.0914	1.0914	5.8912	5.8912
C5	2.6215	3.9109	1.3320	5.2430		5.8912	5.8912	1.0914	1.0914
H6	3.3282	2.1205	4.5806	1.0914	5.8912		1.8555	6.5258	6.5258
H7	3.3282	2.1205	4.5806	1.0914	5.8912	1.8555		6.5258	6.5258
H8	3.3282	4.5806	2.1205	5.8912	1.0914	6.5258	6.5258		1.8555
H9	3.3282	4.5806	2.1205	5.8912	1.0914	6.5258	6.5258	1.8555

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	121.780
C2	C4	H7	121.780	C3	C5	H8	121.780
C3	C5	H9	121.780	H6	C4	H7	116.439
H8	C5	H9	116.439

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP4=FULL/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=FULL/3-21G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)