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	hartrees
Energy at 0K	-192.444268
Energy at 298.15K	-192.445701
HF Energy	-191.589779
Nuclear repulsion energy	121.474644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₁	707	684
2	B₂	3235	3128
3	B₂	3216	3109
4	B₂	1068	1032
5	B₂	1037	1003
6	B₂	862	833
7	B₂	857	828
8	B₂	483	467
9	B₂	483	467
10	B₂	355	344
10	B₂	328	317
11	B₂	203	196
11	B₂	104	100
12	E	3153	3048
12	E	3140	3035
13	E	2151	2079
13	E	1898	1835
14	E	1513	1463
14	E	1471	1422
15	E	1304	1260
15	E	746	722

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.284
C3	0.000	0.000	-1.284
C4	0.000	0.000	2.606
C5	0.000	0.000	-2.606
H6	0.000	0.931	3.162
H7	0.000	-0.931	3.162
H8	0.931	0.000	-3.162
H9	-0.931	0.000	-3.162

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2837	1.2837	2.6058	2.6058	3.2966	3.2966	3.2966	3.2966
C2	1.2837		2.5674	1.3221	3.8895	2.0967	2.0967	4.5426	4.5426
C3	1.2837	2.5674		3.8895	1.3221	4.5426	4.5426	2.0967	2.0967
C4	2.6058	1.3221	3.8895		5.2117	1.0846	1.0846	5.8429	5.8429
C5	2.6058	3.8895	1.3221	5.2117		5.8429	5.8429	1.0846	1.0846
H6	3.2966	2.0967	4.5426	1.0846	5.8429		1.8617	6.4604	6.4604
H7	3.2966	2.0967	4.5426	1.0846	5.8429	1.8617		6.4604	6.4604
H8	3.2966	4.5426	2.0967	5.8429	1.0846	6.4604	6.4604		1.8617
H9	3.2966	4.5426	2.0967	5.8429	1.0846	6.4604	6.4604	1.8617

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	120.878
C2	C4	H7	120.878	C3	C5	H8	120.878
C3	C5	H9	120.878	H6	C4	H7	118.244
H8	C5	H9	118.244

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)