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	hartrees
Energy at 0K	-192.895329
Energy at 298.15K	-192.896812
HF Energy	-192.895329
Nuclear repulsion energy	122.576304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	3019	0.00
2	A₁	1948	1888	0.00
3	A₁	1438	1394	0.00
4	A₁	754	731	0.00
5	B₁	697	675	0.00
6	B₂	3115	3018	1.52
7	B₂	2214	2145	213.48
8	B₂	1515	1467	23.59
9	B₂	1326	1284	12.44
10	E	3187	3088	0.28
10	E	3187	3088	0.28
11	E	1010	979	0.04
11	E	1010	979	0.04
12	E	860	833	53.10
12	E	860	833	53.10
13	E	538	521	0.81
13	E	538	521	0.81
14	E	338	328	0.09
14	E	338	328	0.09
15	E	150	146	4.56
15	E	150	146	4.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.272
C3	0.000	0.000	-1.272
C4	0.000	0.000	2.578
C5	0.000	0.000	-2.578
H6	0.000	0.925	3.142
H7	0.000	-0.925	3.142
H8	0.925	0.000	-3.142
H9	-0.925	0.000	-3.142

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2715	1.2715	2.5785	2.5785	3.2751	3.2751	3.2751	3.2751
C2	1.2715		2.5430	1.3069	3.8500	2.0865	2.0865	4.5092	4.5092
C3	1.2715	2.5430		3.8500	1.3069	4.5092	4.5092	2.0865	2.0865
C4	2.5785	1.3069	3.8500		5.1569	1.0831	1.0831	5.7946	5.7946
C5	2.5785	3.8500	1.3069	5.1569		5.7946	5.7946	1.0831	1.0831
H6	3.2751	2.0865	4.5092	1.0831	5.7946		1.8502	6.4183	6.4183
H7	3.2751	2.0865	4.5092	1.0831	5.7946	1.8502		6.4183	6.4183
H8	3.2751	4.5092	2.0865	5.7946	1.0831	6.4183	6.4183		1.8502
H9	3.2751	4.5092	2.0865	5.7946	1.0831	6.4183	6.4183	1.8502

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	121.339
C2	C4	H7	121.339	C3	C5	H8	121.339
C3	C5	H9	121.339	H6	C4	H7	117.321
H8	C5	H9	117.321

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B3LYP/cc-pVQZ

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	-0.182
2	C	0.032
3	C	0.032
4	C	-0.158
5	C	-0.158
6	H	0.109
7	H	0.109
8	H	0.109
9	H	0.109

<r²>	159.207
(<r²>)^1/2	12.618

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)