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	hartrees
Energy at 0K	-192.212704
Energy at 298.15K	-192.213740
HF Energy	-191.518006
Nuclear repulsion energy	120.897382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1914	1841
2	A₁	737	710
3	B₁	676	650
4	B₂	2162	2080
5	B₂	1321	1271
6	B₂	394	379
7	B₂	394	379
8	B₂	279	269
9	B₂	278	267
10	B₂	151	145
10	B₂	148	143
11	E	3226	3104
11	E	3226	3103
12	E	3146	3027
12	E	3146	3027
13	E	1522	1464
13	E	1468	1413
14	E	1028	989
14	E	1027	989
15	E	837	805
15	E	837	805

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.290
C3	0.000	0.000	-1.290
C4	0.000	0.000	2.617
C5	0.000	0.000	-2.617
H6	0.000	0.930	3.186
H7	0.000	-0.930	3.186
H8	0.930	0.000	-3.186
H9	-0.930	0.000	-3.186

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2896	1.2896	2.6172	2.6172	3.3189	3.3189	3.3189	3.3189
C2	1.2896		2.5792	1.3276	3.9068	2.1122	2.1122	4.5711	4.5711
C3	1.2896	2.5792		3.9068	1.3276	4.5711	4.5711	2.1122	2.1122
C4	2.6172	1.3276	3.9068		5.2345	1.0904	1.0904	5.8772	5.8772
C5	2.6172	3.9068	1.3276	5.2345		5.8772	5.8772	1.0904	1.0904
H6	3.3189	2.1122	4.5711	1.0904	5.8772		1.8609	6.5061	6.5061
H7	3.3189	2.1122	4.5711	1.0904	5.8772	1.8609		6.5061	6.5061
H8	3.3189	4.5711	2.1122	5.8772	1.0904	6.5061	6.5061		1.8609
H9	3.3189	4.5711	2.1122	5.8772	1.0904	6.5061	6.5061	1.8609

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	121.428
C2	C4	H7	121.428	C3	C5	H8	121.428
C3	C5	H9	121.428	H6	C4	H7	117.143
H8	C5	H9	117.143

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)