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	hartrees
Energy at 0K	-192.142685
Energy at 298.15K	-192.143930
HF Energy	-191.519740
Nuclear repulsion energy	121.434446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3011	0.00
2	A₁	1950	1838	0.00
3	A₁	1479	1395	0.00
4	A₁	752	709	0.00
5	B₁	712	671	0.00
6	B₂	3193	3011	0.04
7	B₂	2227	2100	86.12
8	B₂	1537	1449	1.10
9	B₂	1343	1266	3.59
10	E	3279	3092	0.95
10	E	3279	3092	0.95
11	E	1033	974	0.35
11	E	1033	974	0.35
12	E	847	799	60.23
12	E	847	799	60.23
13	E	435	410	0.08
13	E	435	410	0.08
14	E	312	294	0.16
14	E	312	294	0.16
15	E	155	147	2.94
15	E	155	147	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.284
C3	0.000	0.000	-1.284
C4	0.000	0.000	2.605
C5	0.000	0.000	-2.605
H6	0.000	0.928	3.171
H7	0.000	-0.928	3.171
H8	0.928	0.000	-3.171
H9	-0.928	0.000	-3.171

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2840	1.2840	2.6051	2.6051	3.3043	3.3043	3.3043	3.3043
C2	1.2840		2.5680	1.3211	3.8891	2.1031	2.1031	4.5510	4.5510
C3	1.2840	2.5680		3.8891	1.3211	4.5510	4.5510	2.1031	2.1031
C4	2.6051	1.3211	3.8891		5.2102	1.0871	1.0871	5.8505	5.8505
C5	2.6051	3.8891	1.3211	5.2102		5.8505	5.8505	1.0871	1.0871
H6	3.3043	2.1031	4.5510	1.0871	5.8505		1.8558	6.4771	6.4771
H7	3.3043	2.1031	4.5510	1.0871	5.8505	1.8558		6.4771	6.4771
H8	3.3043	4.5510	2.1031	5.8505	1.0871	6.4771	6.4771		1.8558
H9	3.3043	4.5510	2.1031	5.8505	1.0871	6.4771	6.4771	1.8558

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	121.395
C2	C4	H7	121.395	C3	C5	H8	121.395
C3	C5	H9	121.395	H6	C4	H7	117.210
H8	C5	H9	117.210

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)