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	hartrees
Energy at 0K	-192.096844
Energy at 298.15K	-192.098387
HF Energy	-191.537786
Nuclear repulsion energy	121.568249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	2996	0.00
2	A₁	2034	1875	0.00
3	A₁	1487	1371	0.00
4	A₁	777	717	0.00
5	B₁	714	658	0.00
6	B₂	3248	2994	0.32
7	B₂	2334	2151	173.13
8	B₂	1579	1456	6.41
9	B₂	1366	1260	7.89
10	E	3346	3084	0.39
10	E	3346	3084	0.39
11	E	1051	969	0.02
11	E	1051	969	0.02
12	E	913	842	52.43
12	E	913	842	52.43
13	E	528	486	0.10
13	E	528	486	0.10
14	E	336	309	0.16
14	E	336	309	0.16
15	E	156	144	3.76
15	E	156	144	3.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.285
C3	0.000	0.000	-1.285
C4	0.000	0.000	2.601
C5	0.000	0.000	-2.601
H6	0.000	0.934	3.160
H7	0.000	-0.934	3.160
H8	0.934	0.000	-3.160
H9	-0.934	0.000	-3.160

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2850	1.2850	2.6012	2.6012	3.2955	3.2955	3.2955	3.2955
C2	1.2850		2.5700	1.3162	3.8862	2.0952	2.0952	4.5425	4.5425
C3	1.2850	2.5700		3.8862	1.3162	4.5425	4.5425	2.0952	2.0952
C4	2.6012	1.3162	3.8862		5.2024	1.0889	1.0889	5.8368	5.8368
C5	2.6012	3.8862	1.3162	5.2024		5.8368	5.8368	1.0889	1.0889
H6	3.2955	2.0952	4.5425	1.0889	5.8368		1.8688	6.4573	6.4573
H7	3.2955	2.0952	4.5425	1.0889	5.8368	1.8688		6.4573	6.4573
H8	3.2955	4.5425	2.0952	5.8368	1.0889	6.4573	6.4573		1.8688
H9	3.2955	4.5425	2.0952	5.8368	1.0889	6.4573	6.4573	1.8688

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	120.894
C2	C4	H7	120.894	C3	C5	H8	120.894
C3	C5	H9	120.894	H6	C4	H7	118.212
H8	C5	H9	118.212

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)