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	hartrees
Energy at 0K	-192.728181
Energy at 298.15K
HF Energy	-192.440532
Nuclear repulsion energy	122.435448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	5006i	4803i	0.72
2	B₂	6908i	6628i	0.44
3	B₂	8481i	8137i	1.41
4	B₂	9275i	8898i	9.74
5	B₂	9487i	9102i	0.68
6	B₂	10965i	10520i	2.76
7	B₂	11074i	10624i	29.29
8	B₂	11674i	11200i	13.89
9	B₂	11884i	11401i	108.47
10	B₂	12165i	11672i	0.06
10	B₂	14485i	13897i	11.45
11	B₂	19736i	18935i	34.19
11	B₂	21216i	20355i	0.27
12	B₂	21478i	20606i	65.01
12	B₂	21484i	20612i	12.97
13	B₂	26636i	25554i	63.49
13	B₂	35443i	34004i	280.80
14	B₂	41275i	39599i	1.01
14	B₂	75039i	71992i	394.61
15	B₂	77275i	74137i	774.41
15	B₂	78873i	75671i	3647.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.273
C3	0.000	0.000	-1.273
C4	0.000	0.000	2.583
C5	0.000	0.000	-2.583
H6	0.000	0.926	3.142
H7	0.000	-0.926	3.142
H8	0.926	0.000	-3.142
H9	-0.926	0.000	-3.142

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2730	1.2730	2.5830	2.5830	3.2754	3.2754	3.2754	3.2754
C2	1.2730		2.5460	1.3099	3.8560	2.0856	2.0856	4.5109	4.5109
C3	1.2730	2.5460		3.8560	1.3099	4.5109	4.5109	2.0856	2.0856
C4	2.5830	1.3099	3.8560		5.1659	1.0814	1.0814	5.7992	5.7992
C5	2.5830	3.8560	1.3099	5.1659		5.7992	5.7992	1.0814	1.0814
H6	3.2754	2.0856	4.5109	1.0814	5.7992		1.8515	6.4187	6.4187
H7	3.2754	2.0856	4.5109	1.0814	5.7992	1.8515		6.4187	6.4187
H8	3.2754	4.5109	2.0856	5.7992	1.0814	6.4187	6.4187		1.8515
H9	3.2754	4.5109	2.0856	5.7992	1.0814	6.4187	6.4187	1.8515

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	121.122
C2	C4	H7	121.122	C3	C5	H8	121.122
C3	C5	H9	121.122	H6	C4	H7	117.756
H8	C5	H9	117.756

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP=FULL/aug-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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)