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	hartrees
Energy at 0K	-192.765110
Energy at 298.15K	-192.766579
HF Energy	-192.765110
Nuclear repulsion energy	122.287988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	3009	0.00
2	A₁	1967	1894	0.00
3	A₁	1434	1381	0.00
4	A₁	756	728	0.00
5	B₁	698	672	0.00
6	B₂	3124	3008	5.52
7	B₂	2243	2160	173.49
8	B₂	1518	1462	19.73
9	B₂	1327	1277	7.66
10	E	3202	3082	1.61
10	E	3202	3082	1.61
11	E	1009	972	0.40
11	E	1009	972	0.40
12	E	839	807	62.61
12	E	839	807	62.61
13	E	546	525	0.81
13	E	546	525	0.81
14	E	337	325	0.19
14	E	337	325	0.19
15	E	152	146	4.51
15	E	152	146	4.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.274
C3	0.000	0.000	-1.274
C4	0.000	0.000	2.584
C5	0.000	0.000	-2.584
H6	0.000	0.928	3.150
H7	0.000	-0.928	3.150
H8	0.928	0.000	-3.150
H9	-0.928	0.000	-3.150

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2744	1.2744	2.5837	2.5837	3.2843	3.2843	3.2843	3.2843
C2	1.2744		2.5489	1.3093	3.8582	2.0930	2.0930	4.5212	4.5212
C3	1.2744	2.5489		3.8582	1.3093	4.5212	4.5212	2.0930	2.0930
C4	2.5837	1.3093	3.8582		5.1675	1.0874	1.0874	5.8088	5.8088
C5	2.5837	3.8582	1.3093	5.1675		5.8088	5.8088	1.0874	1.0874
H6	3.2843	2.0930	4.5212	1.0874	5.8088		1.8561	6.4361	6.4361
H7	3.2843	2.0930	4.5212	1.0874	5.8088	1.8561		6.4361	6.4361
H8	3.2843	4.5212	2.0930	5.8088	1.0874	6.4361	6.4361		1.8561
H9	3.2843	4.5212	2.0930	5.8088	1.0874	6.4361	6.4361	1.8561

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	121.411
C2	C4	H7	121.411	C3	C5	H8	121.411
C3	C5	H9	121.411	H6	C4	H7	117.178
H8	C5	H9	117.178

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B3PW91/6-311G*

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	0.051
2	C	-0.046
3	C	-0.046
4	C	-0.476
5	C	-0.476
6	H	0.249
7	H	0.249
8	H	0.249
9	H	0.249

<r²>	159.463
(<r²>)^1/2	12.628

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)