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	hartrees
Energy at 0K	-191.567609
Energy at 298.15K	-191.569391
HF Energy	-191.567609
Nuclear repulsion energy	123.240990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	2980	0.00
2	A₁	2089	1898	0.00
3	A₁	1550	1408	0.00
4	A₁	797	724	0.00
5	B₁	747	679	0.00
6	B₂	3279	2979	3.68
7	B₂	2402	2182	315.12
8	B₂	1637	1488	9.82
9	B₂	1410	1281	17.11
10	E	3363	3056	1.47
10	E	3363	3056	1.47
11	E	1101	1001	0.07
11	E	1101	1001	0.07
12	E	995	904	58.69
12	E	995	904	58.69
13	E	568	516	0.56
13	E	568	516	0.56
14	E	376	342	0.07
14	E	376	342	0.07
15	E	163	148	5.37
15	E	163	148	5.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.267
C3	0.000	0.000	-1.267
C4	0.000	0.000	2.565
C5	0.000	0.000	-2.565
H6	0.000	0.923	3.118
H7	0.000	-0.923	3.118
H8	0.923	0.000	-3.118
H9	-0.923	0.000	-3.118

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2670	1.2670	2.5652	2.5652	3.2519	3.2519	3.2519	3.2519
C2	1.2670		2.5340	1.2982	3.8321	2.0686	2.0686	4.4812	4.4812
C3	1.2670	2.5340		3.8321	1.2982	4.4812	4.4812	2.0686	2.0686
C4	2.5652	1.2982	3.8321		5.1303	1.0761	1.0761	5.7578	5.7578
C5	2.5652	3.8321	1.2982	5.1303		5.7578	5.7578	1.0761	1.0761
H6	3.2519	2.0686	4.4812	1.0761	5.7578		1.8464	6.3714	6.3714
H7	3.2519	2.0686	4.4812	1.0761	5.7578	1.8464		6.3714	6.3714
H8	3.2519	4.4812	2.0686	5.7578	1.0761	6.3714	6.3714		1.8464
H9	3.2519	4.4812	2.0686	5.7578	1.0761	6.3714	6.3714	1.8464

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	120.921
C2	C4	H7	120.921	C3	C5	H8	120.921
C3	C5	H9	120.921	H6	C4	H7	118.159
H8	C5	H9	118.159

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HF/6-311G**

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	0.327
2	C	-0.232
3	C	-0.232
4	C	-0.214
5	C	-0.214
6	H	0.141
7	H	0.141
8	H	0.141
9	H	0.141

<r²>	157.511
(<r²>)^1/2	12.550

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)