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	hartrees
Energy at 0K	-192.282558
Energy at 298.15K	-192.283898
HF Energy	-191.544654
Nuclear repulsion energy	122.020294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3013	0.00
2	A₁	1951	1842	0.00
3	A₁	1446	1366	0.00
4	A₁	747	706	0.00
5	B₁	710	670	0.00
6	B₂	3191	3013	1.91
7	B₂	2237	2113	101.81
8	B₂	1514	1430	2.82
9	B₂	1328	1254	2.66
10	E	3282	3100	0.02
10	E	3282	3100	0.02
11	E	1011	955	0.08
11	E	1011	955	0.08
12	E	846	799	49.25
12	E	846	799	49.25
13	E	506	478	0.03
13	E	506	478	0.03
14	E	315	297	0.20
14	E	315	297	0.20
15	E	142	134	3.03
15	E	142	134	3.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.277
C3	0.000	0.000	-1.277
C4	0.000	0.000	2.592
C5	0.000	0.000	-2.592
H6	0.000	0.928	3.152
H7	0.000	-0.928	3.152
H8	0.928	0.000	-3.152
H9	-0.928	0.000	-3.152

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2772	1.2772	2.5922	2.5922	3.2860	3.2860	3.2860	3.2860
C2	1.2772		2.5545	1.3149	3.8694	2.0922	2.0922	4.5256	4.5256
C3	1.2772	2.5545		3.8694	1.3149	4.5256	4.5256	2.0922	2.0922
C4	2.5922	1.3149	3.8694		5.1843	1.0842	1.0842	5.8188	5.8188
C5	2.5922	3.8694	1.3149	5.1843		5.8188	5.8188	1.0842	1.0842
H6	3.2860	2.0922	4.5256	1.0842	5.8188		1.8568	6.4395	6.4395
H7	3.2860	2.0922	4.5256	1.0842	5.8188	1.8568		6.4395	6.4395
H8	3.2860	4.5256	2.0922	5.8188	1.0842	6.4395	6.4395		1.8568
H9	3.2860	4.5256	2.0922	5.8188	1.0842	6.4395	6.4395	1.8568

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	121.096
C2	C4	H7	121.096	C3	C5	H8	121.096
C3	C5	H9	121.096	H6	C4	H7	117.808
H8	C5	H9	117.808

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)