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	hartrees
Energy at 0K	-192.576923
Energy at 298.15K	-192.578493
HF Energy	-192.576923
Nuclear repulsion energy	122.027550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3013	0.00
2	A₁	1993	1895	0.00
3	A₁	1455	1384	0.00
4	A₁	768	730	0.00
5	B₁	702	668	0.00
6	B₂	3168	3012	2.36
7	B₂	2271	2159	148.75
8	B₂	1542	1466	11.88
9	B₂	1348	1282	7.63
10	E	3246	3087	1.14
10	E	3246	3087	1.14
11	E	1018	968	0.47
11	E	1018	968	0.47
12	E	855	813	63.38
12	E	855	813	63.38
13	E	579	550	0.05
13	E	579	550	0.05
14	E	354	336	0.19
14	E	354	336	0.19
15	E	159	151	3.04
15	E	159	151	3.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.278
C3	0.000	0.000	-1.278
C4	0.000	0.000	2.590
C5	0.000	0.000	-2.590
H6	0.000	0.928	3.158
H7	0.000	-0.928	3.158
H8	0.928	0.000	-3.158
H9	-0.928	0.000	-3.158

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2782	1.2782	2.5896	2.5896	3.2911	3.2911	3.2911	3.2911
C2	1.2782		2.5563	1.3115	3.8678	2.0961	2.0961	4.5318	4.5318
C3	1.2782	2.5563		3.8678	1.3115	4.5318	4.5318	2.0961	2.0961
C4	2.5896	1.3115	3.8678		5.1793	1.0881	1.0881	5.8216	5.8216
C5	2.5896	3.8678	1.3115	5.1793		5.8216	5.8216	1.0881	1.0881
H6	3.2911	2.0961	4.5318	1.0881	5.8216		1.8562	6.4500	6.4500
H7	3.2911	2.0961	4.5318	1.0881	5.8216	1.8562		6.4500	6.4500
H8	3.2911	4.5318	2.0961	5.8216	1.0881	6.4500	6.4500		1.8562
H9	3.2911	4.5318	2.0961	5.8216	1.0881	6.4500	6.4500	1.8562

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	121.462
C2	C4	H7	121.462	C3	C5	H8	121.462
C3	C5	H9	121.462	H6	C4	H7	117.075
H8	C5	H9	117.075

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HSEh1PBE/6-31G*

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	0.603
2	C	-0.084
3	C	-0.084
4	C	-0.627
5	C	-0.627
6	H	0.205
7	H	0.205
8	H	0.205
9	H	0.205

<r²>	159.866
(<r²>)^1/2	12.644

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)