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	hartrees
Energy at 0K	-192.544537
Energy at 298.15K
HF Energy	-191.591483
Nuclear repulsion energy	121.976134

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.278
C3	0.000	0.000	-1.278
C4	0.000	0.000	2.594
C5	0.000	0.000	-2.594
H6	0.000	0.928	3.151
H7	0.000	-0.928	3.151
H8	0.928	0.000	-3.151
H9	-0.928	0.000	-3.151

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2783	1.2783	2.5943	2.5943	3.2846	3.2846	3.2846	3.2846
C2	1.2783		2.5565	1.3161	3.8726	2.0898	2.0898	4.5252	4.5252
C3	1.2783	2.5565		3.8726	1.3161	4.5252	4.5252	2.0898	2.0898
C4	2.5943	1.3161	3.8726		5.1887	1.0817	1.0817	5.8196	5.8196
C5	2.5943	3.8726	1.3161	5.1887		5.8196	5.8196	1.0817	1.0817
H6	3.2846	2.0898	4.5252	1.0817	5.8196		1.8551	6.4369	6.4369
H7	3.2846	2.0898	4.5252	1.0817	5.8196	1.8551		6.4369	6.4369
H8	3.2846	4.5252	2.0898	5.8196	1.0817	6.4369	6.4369		1.8551
H9	3.2846	4.5252	2.0898	5.8196	1.0817	6.4369	6.4369	1.8551

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	120.965
C2	C4	H7	120.965	C3	C5	H8	120.965
C3	C5	H9	120.965	H6	C4	H7	118.070
H8	C5	H9	118.070

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD(T)=FULL/daug-cc-pVTZ

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)=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)