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	hartrees
Energy at 0K	-29.974556
Energy at 298.15K
HF Energy	-29.540357
Nuclear repulsion energy	59.336539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	3005	0.00
2	A₁	1837	1793	0.00
3	A₁	1487	1451	0.00
4	A₁	697	680	0.00
5	B₁	709	692	0.00
6	B₂	3079	3005	9.34
7	B₂	2114	2063	98.11
8	B₂	1511	1474	2.00
9	B₂	1278	1248	7.40
10	E	3181	3105	7.87
10	E	3181	3105	7.87
11	E	1044	1019	0.41
11	E	1044	1019	0.41
12	E	845	824	75.15
12	E	845	824	75.15
13	E	345	337	0.30
13	E	345	337	0.30
14	E	161	157	4.73
14	E	161	157	4.73
15	E	318i	311i	0.00
15	E	318i	311i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.307
C3	0.000	0.000	-1.307
C4	0.000	0.000	2.657
C5	0.000	0.000	-2.657
H6	0.000	0.937	3.224
H7	0.000	-0.937	3.224
H8	0.937	0.000	-3.224
H9	-0.937	0.000	-3.224

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.3069	1.3069	2.6574	2.6574	3.3571	3.3571	3.3571	3.3571
C2	1.3069		2.6139	1.3504	3.9643	2.1334	2.1334	4.6265	4.6265
C3	1.3069	2.6139		3.9643	1.3504	4.6265	4.6265	2.1334	2.1334
C4	2.6574	1.3504	3.9643		5.3148	1.0946	1.0946	5.9553	5.9553
C5	2.6574	3.9643	1.3504	5.3148		5.9553	5.9553	1.0946	1.0946
H6	3.3571	2.1334	4.6265	1.0946	5.9553		1.8733	6.5822	6.5822
H7	3.3571	2.1334	4.6265	1.0946	5.9553	1.8733		6.5822	6.5822
H8	3.3571	4.6265	2.1334	5.9553	1.0946	6.5822	6.5822		1.8733
H9	3.3571	4.6265	2.1334	5.9553	1.0946	6.5822	6.5822	1.8733

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	121.162
C2	C4	H7	121.162	C3	C5	H8	121.162
C3	C5	H9	121.162	H6	C4	H7	117.676
H8	C5	H9	117.676

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)