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	hartrees
Energy at 0K	-192.618225
Energy at 298.15K
HF Energy	-192.388857
Nuclear repulsion energy	121.201181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3146	0.00
2	A₁	1935	1935	0.00
3	A₁	1428	1428	0.00
4	A₁	746	746	0.00
5	B₁	688	688	0.00
6	B₂	3146	3146	0.64
7	B₂	2211	2211	191.95
8	B₂	1499	1499	17.99
9	B₂	1316	1316	12.06
10	E	3236	3236	0.24
10	E	3236	3236	0.24
11	E	979	979	0.16
11	E	979	979	0.16
12	E	861	861	52.12
12	E	861	861	52.12
13	E	347	347	0.10
13	E	347	347	0.10
14	E	150	150	5.23
14	E	150	150	5.23
15	E	418i	418i	0.06
15	E	418i	418i	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.286
C3	0.000	0.000	-1.286
C4	0.000	0.000	2.610
C5	0.000	0.000	-2.610
H6	0.000	0.934	3.173
H7	0.000	-0.934	3.173
H8	0.934	0.000	-3.173
H9	-0.934	0.000	-3.173

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2863	1.2863	2.6099	2.6099	3.3080	3.3080	3.3080	3.3080
C2	1.2863		2.5727	1.3235	3.8962	2.1055	2.1055	4.5565	4.5565
C3	1.2863	2.5727		3.8962	1.3235	4.5565	4.5565	2.1055	2.1055
C4	2.6099	1.3235	3.8962		5.2198	1.0908	1.0908	5.8583	5.8583
C5	2.6099	3.8962	1.3235	5.2198		5.8583	5.8583	1.0908	1.0908
H6	3.3080	2.1055	4.5565	1.0908	5.8583		1.8678	6.4829	6.4829
H7	3.3080	2.1055	4.5565	1.0908	5.8583	1.8678		6.4829	6.4829
H8	3.3080	4.5565	2.1055	5.8583	1.0908	6.4829	6.4829		1.8678
H9	3.3080	4.5565	2.1055	5.8583	1.0908	6.4829	6.4829	1.8678

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	121.109
C2	C4	H7	121.109	C3	C5	H8	121.109
C3	C5	H9	121.109	H6	C4	H7	117.781
H8	C5	H9	117.781

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

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=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)