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	hartrees
Energy at 0K	-192.469665
Energy at 298.15K	-192.471230
HF Energy	-191.592226
Nuclear repulsion energy	122.331649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3167	0.00
2	A₁	1933	1933	0.00
3	A₁	1442	1442	0.00
4	A₁	751	751	0.00
5	B₁	718	718	0.00
6	B₂	3164	3164	0.23
7	B₂	2201	2201	167.59
8	B₂	1508	1508	11.40
9	B₂	1321	1321	6.79
10	E	3242	3242	0.10
10	E	3242	3242	0.10
11	E	1003	1003	0.13
11	E	1003	1003	0.13
12	E	861	861	50.69
12	E	861	861	50.69
13	E	573	573	0.81
13	E	573	573	0.81
14	E	352	352	0.02
14	E	352	352	0.02
15	E	155	155	4.87
15	E	155	155	4.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.274
C3	0.000	0.000	-1.274
C4	0.000	0.000	2.586
C5	0.000	0.000	-2.586
H6	0.000	0.927	3.140
H7	0.000	-0.927	3.140
H8	0.927	0.000	-3.140
H9	-0.927	0.000	-3.140

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2744	1.2744	2.5863	2.5863	3.2745	3.2745	3.2745	3.2745
C2	1.2744		2.5488	1.3119	3.8607	2.0837	2.0837	4.5112	4.5112
C3	1.2744	2.5488		3.8607	1.3119	4.5112	4.5112	2.0837	2.0837
C4	2.5863	1.3119	3.8607		5.1726	1.0803	1.0803	5.8014	5.8014
C5	2.5863	3.8607	1.3119	5.1726		5.8014	5.8014	1.0803	1.0803
H6	3.2745	2.0837	4.5112	1.0803	5.8014		1.8546	6.4163	6.4163
H7	3.2745	2.0837	4.5112	1.0803	5.8014	1.8546		6.4163	6.4163
H8	3.2745	4.5112	2.0837	5.8014	1.0803	6.4163	6.4163		1.8546
H9	3.2745	4.5112	2.0837	5.8014	1.0803	6.4163	6.4163	1.8546

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	120.861
C2	C4	H7	120.861	C3	C5	H8	120.861
C3	C5	H9	120.861	H6	C4	H7	118.279
H8	C5	H9	118.279

All results from a given calculation for C₅H₄ (pentatetraene)

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

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)