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	hartrees
Energy at 0K	-192.213224
Energy at 298.15K	-192.214475
HF Energy	-191.527220
Nuclear repulsion energy	121.417007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3022	0.00
2	A₁	1960	1845	0.00
3	A₁	1495	1407	0.00
4	A₁	751	707	0.00
5	B₁	697	656	0.00
6	B₂	3209	3021	6.94
7	B₂	2235	2104	73.56
8	B₂	1558	1467	0.23
9	B₂	1342	1264	6.68
10	E	3298	3105	3.55
10	E	3298	3105	3.55
11	E	1045	983	0.02
11	E	1045	983	0.02
12	E	868	817	47.09
12	E	868	817	47.09
13	E	436	411	0.02
13	E	436	411	0.02
14	E	303	286	0.17
14	E	303	286	0.17
15	E	154	145	2.62
15	E	154	145	2.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.286
C3	0.000	0.000	-1.286
C4	0.000	0.000	2.607
C5	0.000	0.000	-2.607
H6	0.000	0.926	3.168
H7	0.000	-0.926	3.168
H8	0.926	0.000	-3.168
H9	-0.926	0.000	-3.168

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2861	1.2861	2.6073	2.6073	3.3008	3.3008	3.3008	3.3008
C2	1.2861		2.5722	1.3212	3.8934	2.0976	2.0976	4.5496	4.5496
C3	1.2861	2.5722		3.8934	1.3212	4.5496	4.5496	2.0976	2.0976
C4	2.6073	1.3212	3.8934		5.2146	1.0825	1.0825	5.8494	5.8494
C5	2.6073	3.8934	1.3212	5.2146		5.8494	5.8494	1.0825	1.0825
H6	3.3008	2.0976	4.5496	1.0825	5.8494		1.8516	6.4705	6.4705
H7	3.3008	2.0976	4.5496	1.0825	5.8494	1.8516		6.4705	6.4705
H8	3.3008	4.5496	2.0976	5.8494	1.0825	6.4705	6.4705		1.8516
H9	3.3008	4.5496	2.0976	5.8494	1.0825	6.4705	6.4705	1.8516

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	121.215
C2	C4	H7	121.215	C3	C5	H8	121.215
C3	C5	H9	121.215	H6	C4	H7	117.569
H8	C5	H9	117.569

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)