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	hartrees
Energy at 0K	-192.597881
Energy at 298.15K	-192.599291
HF Energy	-192.380501
Nuclear repulsion energy	121.147868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3016	0.00
2	A₁	1951	1868	0.00
3	A₁	1426	1366	0.00
4	A₁	751	719	0.00
5	B₁	690	661	0.00
6	B₂	3148	3015	0.45
7	B₂	2222	2128	143.92
8	B₂	1507	1444	10.66
9	B₂	1318	1262	7.18
10	E	3242	3105	0.38
10	E	3242	3105	0.38
11	E	1003	961	0.08
11	E	1003	961	0.08
12	E	834	799	51.92
12	E	834	799	51.92
13	E	529	507	0.00
13	E	529	507	0.00
14	E	320	307	0.09
14	E	320	307	0.09
15	E	152	145	3.37
15	E	152	145	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.287
C3	0.000	0.000	-1.287
C4	0.000	0.000	2.610
C5	0.000	0.000	-2.610
H6	0.000	0.937	3.175
H7	0.000	-0.937	3.175
H8	0.937	0.000	-3.175
H9	-0.937	0.000	-3.175

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2873	1.2873	2.6100	2.6100	3.3098	3.3098	3.3098	3.3098
C2	1.2873		2.5745	1.3227	3.8973	2.1069	2.1069	4.5591	4.5591
C3	1.2873	2.5745		3.8973	1.3227	4.5591	4.5591	2.1069	2.1069
C4	2.6100	1.3227	3.8973		5.2200	1.0937	1.0937	5.8599	5.8599
C5	2.6100	3.8973	1.3227	5.2200		5.8599	5.8599	1.0937	1.0937
H6	3.3098	2.1069	4.5591	1.0937	5.8599		1.8735	6.4858	6.4858
H7	3.3098	2.1069	4.5591	1.0937	5.8599	1.8735		6.4858	6.4858
H8	3.3098	4.5591	2.1069	5.8599	1.0937	6.4858	6.4858		1.8735
H9	3.3098	4.5591	2.1069	5.8599	1.0937	6.4858	6.4858	1.8735

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	121.075
C2	C4	H7	121.075	C3	C5	H8	121.075
C3	C5	H9	121.075	H6	C4	H7	117.850
H8	C5	H9	117.850

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.353
2	C	-0.237
3	C	-0.237
4	C	-0.077
5	C	-0.077
6	H	0.069
7	H	0.069
8	H	0.069
9	H	0.069

<r²>	162.412
(<r²>)^1/2	12.744

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)