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	hartrees
Energy at 0K	-192.245347
Energy at 298.15K	-192.246397
HF Energy	-191.525938
Nuclear repulsion energy	121.016016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1916	1817
2	A₁	737	699
3	B₁	679	644
4	B₂	2164	2053
5	B₂	1322	1254
6	B₂	397	377
7	B₂	397	377
8	B₂	274	260
9	B₂	273	259
10	B₂	151	143
10	B₂	149	141
11	E	3279	3111
11	E	3279	3110
12	E	3190	3026
12	E	3190	3025
13	E	1538	1459
13	E	1484	1408
14	E	1033	979
14	E	1032	979
15	E	835	792
15	E	835	792

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	2.617
C5	0.000	0.000	-2.617
H6	0.000	0.927	3.179
H7	0.000	-0.927	3.179
H8	0.927	0.000	-3.179
H9	-0.927	0.000	-3.179

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2895	1.2895	2.6170	2.6170	3.3114	3.3114	3.3114	3.3114
C2	1.2895		2.5790	1.3275	3.9065	2.1046	2.1046	4.5636	4.5636
C3	1.2895	2.5790		3.9065	1.3275	4.5636	4.5636	2.1046	2.1046
C4	2.6170	1.3275	3.9065		5.2340	1.0840	1.0840	5.8697	5.8697
C5	2.6170	3.9065	1.3275	5.2340		5.8697	5.8697	1.0840	1.0840
H6	3.3114	2.1046	4.5636	1.0840	5.8697		1.8537	6.4918	6.4918
H7	3.3114	2.1046	4.5636	1.0840	5.8697	1.8537		6.4918	6.4918
H8	3.3114	4.5636	2.1046	5.8697	1.0840	6.4918	6.4918		1.8537
H9	3.3114	4.5636	2.1046	5.8697	1.0840	6.4918	6.4918	1.8537

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	121.233
C2	C4	H7	121.233	C3	C5	H8	121.233
C3	C5	H9	121.233	H6	C4	H7	117.534
H8	C5	H9	117.534

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)