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	hartrees
Energy at 0K	-192.600355
Energy at 298.15K	-192.601884
HF Energy	-192.373792
Nuclear repulsion energy	121.833409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3176	0.00
2	A₁	1962	1962	0.00
3	A₁	1469	1469	0.00
4	A₁	757	757	0.00
5	B₁	703	703	0.00
6	B₂	3175	3175	2.12
7	B₂	2235	2235	124.40
8	B₂	1539	1539	4.82
9	B₂	1340	1340	9.09
10	E	3259	3259	1.65
10	E	3259	3259	1.65
11	E	1026	1026	0.12
11	E	1026	1026	0.12
12	E	851	851	54.03
12	E	851	851	54.03
13	E	550	550	0.00
13	E	550	550	0.00
14	E	345	345	0.13
14	E	345	345	0.13
15	E	160	160	2.58
15	E	160	160	2.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.280
C3	0.000	0.000	-1.280
C4	0.000	0.000	2.596
C5	0.000	0.000	-2.596
H6	0.000	0.926	3.160
H7	0.000	-0.926	3.160
H8	0.926	0.000	-3.160
H9	-0.926	0.000	-3.160

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2802	1.2802	2.5963	2.5963	3.2931	3.2931	3.2931	3.2931
C2	1.2802		2.5604	1.3161	3.8765	2.0957	2.0957	4.5359	4.5359
C3	1.2802	2.5604		3.8765	1.3161	4.5359	4.5359	2.0957	2.0957
C4	2.5963	1.3161	3.8765		5.1925	1.0842	1.0842	5.8305	5.8305
C5	2.5963	3.8765	1.3161	5.1925		5.8305	5.8305	1.0842	1.0842
H6	3.2931	2.0957	4.5359	1.0842	5.8305		1.8520	6.4547	6.4547
H7	3.2931	2.0957	4.5359	1.0842	5.8305	1.8520		6.4547	6.4547
H8	3.2931	4.5359	2.0957	5.8305	1.0842	6.4547	6.4547		1.8520
H9	3.2931	4.5359	2.0957	5.8305	1.0842	6.4547	6.4547	1.8520

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	121.343
C2	C4	H7	121.343	C3	C5	H8	121.343
C3	C5	H9	121.343	H6	C4	H7	117.315
H8	C5	H9	117.315

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)