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	hartrees
Energy at 0K	-192.122752
Energy at 298.15K
HF Energy	-191.559448
Nuclear repulsion energy	122.560782

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.273
C3	0.000	0.000	-1.273
C4	0.000	0.000	2.580
C5	0.000	0.000	-2.580
H6	0.000	0.925	3.138
H7	0.000	-0.925	3.138
H8	0.925	0.000	-3.138
H9	-0.925	0.000	-3.138

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2734	1.2734	2.5799	2.5799	3.2718	3.2718	3.2718	3.2718
C2	1.2734		2.5469	1.3065	3.8533	2.0817	2.0817	4.5077	4.5077
C3	1.2734	2.5469		3.8533	1.3065	4.5077	4.5077	2.0817	2.0817
C4	2.5799	1.3065	3.8533		5.1598	1.0804	1.0804	5.7925	5.7925
C5	2.5799	3.8533	1.3065	5.1598		5.7925	5.7925	1.0804	1.0804
H6	3.2718	2.0817	4.5077	1.0804	5.7925		1.8499	6.4115	6.4115
H7	3.2718	2.0817	4.5077	1.0804	5.7925	1.8499		6.4115	6.4115
H8	3.2718	4.5077	2.0817	5.7925	1.0804	6.4115	6.4115		1.8499
H9	3.2718	4.5077	2.0817	5.7925	1.0804	6.4115	6.4115	1.8499

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	121.121
C2	C4	H7	121.121	C3	C5	H8	121.121
C3	C5	H9	121.121	H6	C4	H7	117.759
H8	C5	H9	117.759

All results from a given calculation for C₅H₄ (pentatetraene)

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

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)