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	hartrees
Energy at 0K	-192.437693
Energy at 298.15K	-192.439222
HF Energy	-191.590469
Nuclear repulsion energy	122.477457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3023	0.00
2	A₁	1942	1843	0.00
3	A₁	1452	1379	0.00
4	A₁	746	708	0.00
5	B₁	709	673	0.00
6	B₂	3180	3019	0.32
7	B₂	2232	2119	144.38
8	B₂	1516	1439	8.77
9	B₂	1324	1257	5.08
10	E	3260	3095	0.04
10	E	3260	3095	0.04
11	E	1012	961	0.04
11	E	1012	961	0.04
12	E	869	825	54.23
12	E	869	825	54.23
13	E	532	505	0.50
13	E	532	505	0.50
14	E	351	333	0.05
14	E	351	333	0.05
15	E	154	146	4.37
15	E	154	146	4.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.272
C3	0.000	0.000	-1.272
C4	0.000	0.000	2.584
C5	0.000	0.000	-2.584
H6	0.000	0.926	3.136
H7	0.000	-0.926	3.136
H8	0.926	0.000	-3.136
H9	-0.926	0.000	-3.136

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2723	1.2723	2.5837	2.5837	3.2700	3.2700	3.2700	3.2700
C2	1.2723		2.5446	1.3114	3.8560	2.0812	2.0812	4.5047	4.5047
C3	1.2723	2.5446		3.8560	1.3114	4.5047	4.5047	2.0812	2.0812
C4	2.5837	1.3114	3.8560		5.1674	1.0784	1.0784	5.7943	5.7943
C5	2.5837	3.8560	1.3114	5.1674		5.7943	5.7943	1.0784	1.0784
H6	3.2700	2.0812	4.5047	1.0784	5.7943		1.8523	6.4076	6.4076
H7	3.2700	2.0812	4.5047	1.0784	5.7943	1.8523		6.4076	6.4076
H8	3.2700	4.5047	2.0812	5.7943	1.0784	6.4076	6.4076		1.8523
H9	3.2700	4.5047	2.0812	5.7943	1.0784	6.4076	6.4076	1.8523

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	120.817
C2	C4	H7	120.817	C3	C5	H8	120.817
C3	C5	H9	120.817	H6	C4	H7	118.366
H8	C5	H9	118.366

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)