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	hartrees
Energy at 0K	-192.271389
Energy at 298.15K	-192.272488
HF Energy	-191.565000
Nuclear repulsion energy	121.471239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3157	0.00
2	A₁	1942	1942	0.00
3	A₁	1462	1462	0.00
4	A₁	741	741	0.00
5	B₁	692	692	0.00
6	B₂	3156	3156	3.73
7	B₂	2222	2222	94.73
8	B₂	1526	1526	3.06
9	B₂	1323	1323	5.57
10	E	3243	3243	1.71
10	E	3243	3243	1.71
11	E	1022	1022	0.03
11	E	1022	1022	0.03
12	E	853	853	48.40
12	E	853	853	48.40
13	E	417	417	0.12
13	E	417	417	0.12
14	E	265	265	0.49
14	E	265	265	0.49
15	E	148	148	3.66
15	E	148	148	3.66

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	0.932	3.164
H7	0.000	-0.932	3.164
H8	0.932	0.000	-3.164
H9	-0.932	0.000	-3.164

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2840	1.2840	2.6047	2.6047	3.2985	3.2985	3.2985	3.2985
C2	1.2840		2.5680	1.3207	3.8887	2.0984	2.0984	4.5447	4.5447
C3	1.2840	2.5680		3.8887	1.3207	4.5447	4.5447	2.0984	2.0984
C4	2.6047	1.3207	3.8887		5.2094	1.0871	1.0871	5.8436	5.8436
C5	2.6047	3.8887	1.3207	5.2094		5.8436	5.8436	1.0871	1.0871
H6	3.2985	2.0984	4.5447	1.0871	5.8436		1.8643	6.4639	6.4639
H7	3.2985	2.0984	4.5447	1.0871	5.8436	1.8643		6.4639	6.4639
H8	3.2985	4.5447	2.0984	5.8436	1.0871	6.4639	6.4639		1.8643
H9	3.2985	4.5447	2.0984	5.8436	1.0871	6.4639	6.4639	1.8643

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	120.966
C2	C4	H7	120.966	C3	C5	H8	120.966
C3	C5	H9	120.966	H6	C4	H7	118.068
H8	C5	H9	118.068

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)