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	hartrees
Energy at 0K	-192.327680
Energy at 298.15K	-192.329015
HF Energy	-191.558138
Nuclear repulsion energy	121.813733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3177	0.00
2	A₁	1969	1969	0.00
3	A₁	1468	1468	0.00
4	A₁	752	752	0.00
5	B₁	706	706	0.00
6	B₂	3175	3175	0.79
7	B₂	2252	2252	106.12
8	B₂	1539	1539	7.27
9	B₂	1336	1336	3.90
10	E	3261	3261	1.29
10	E	3261	3261	1.29
11	E	1027	1027	0.08
11	E	1027	1027	0.08
12	E	851	851	60.33
12	E	851	851	60.33
13	E	465	465	0.20
13	E	465	465	0.20
14	E	319	319	0.30
14	E	319	319	0.30
15	E	156	156	4.37
15	E	156	156	4.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.281
C3	0.000	0.000	-1.281
C4	0.000	0.000	2.597
C5	0.000	0.000	-2.597
H6	0.000	0.929	3.158
H7	0.000	-0.929	3.158
H8	0.929	0.000	-3.158
H9	-0.929	0.000	-3.158

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2805	1.2805	2.5965	2.5965	3.2920	3.2920	3.2920	3.2920
C2	1.2805		2.5610	1.3160	3.8770	2.0948	2.0948	4.5349	4.5349
C3	1.2805	2.5610		3.8770	1.3160	4.5349	4.5349	2.0948	2.0948
C4	2.5965	1.3160	3.8770		5.1930	1.0854	1.0854	5.8292	5.8292
C5	2.5965	3.8770	1.3160	5.1930		5.8292	5.8292	1.0854	1.0854
H6	3.2920	2.0948	4.5349	1.0854	5.8292		1.8573	6.4516	6.4516
H7	3.2920	2.0948	4.5349	1.0854	5.8292	1.8573		6.4516	6.4516
H8	3.2920	4.5349	2.0948	5.8292	1.0854	6.4516	6.4516		1.8573
H9	3.2920	4.5349	2.0948	5.8292	1.0854	6.4516	6.4516	1.8573

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	121.171
C2	C4	H7	121.171	C3	C5	H8	121.171
C3	C5	H9	121.171	H6	C4	H7	117.658
H8	C5	H9	117.658

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: MP3=FULL/6-311G*

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: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)