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	hartrees
Energy at 0K	-192.283948
Energy at 298.15K	-192.284869
HF Energy	-191.583499
Nuclear repulsion energy	121.974616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3028	0.00
2	A₁	1950	1861	0.00
3	A₁	1479	1412	0.00
4	A₁	748	714	0.00
5	B₁	698	666	0.00
6	B₂	3172	3027	4.30
7	B₂	2229	2127	109.07
8	B₂	1541	1470	4.60
9	B₂	1335	1274	8.28
10	E	3257	3108	1.42
10	E	3257	3108	1.42
11	E	1023	977	0.05
11	E	1023	977	0.05
12	E	813	776	53.63
12	E	813	776	53.63
13	E	383	366	0.00
13	E	383	366	0.00
14	E	250	239	0.84
14	E	250	239	0.84
15	E	132	126	3.81
15	E	132	126	3.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.279
C3	0.000	0.000	-1.279
C4	0.000	0.000	2.594
C5	0.000	0.000	-2.594
H6	0.000	0.928	3.152
H7	0.000	-0.928	3.152
H8	0.928	0.000	-3.152
H9	-0.928	0.000	-3.152

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2786	1.2786	2.5936	2.5936	3.2861	3.2861	3.2861	3.2861
C2	1.2786		2.5573	1.3149	3.8722	2.0909	2.0909	4.5272	4.5272
C3	1.2786	2.5573		3.8722	1.3149	4.5272	4.5272	2.0909	2.0909
C4	2.5936	1.3149	3.8722		5.1872	1.0832	1.0832	5.8204	5.8204
C5	2.5936	3.8722	1.3149	5.1872		5.8204	5.8204	1.0832	1.0832
H6	3.2861	2.0909	4.5272	1.0832	5.8204		1.8559	6.4399	6.4399
H7	3.2861	2.0909	4.5272	1.0832	5.8204	1.8559		6.4399	6.4399
H8	3.2861	4.5272	2.0909	5.8204	1.0832	6.4399	6.4399		1.8559
H9	3.2861	4.5272	2.0909	5.8204	1.0832	6.4399	6.4399	1.8559

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	121.058
C2	C4	H7	121.058	C3	C5	H8	121.058
C3	C5	H9	121.058	H6	C4	H7	117.885
H8	C5	H9	117.885

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)