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	hartrees
Energy at 0K	-192.785110
Energy at 298.15K	-192.786634
HF Energy	-192.785110
Nuclear repulsion energy	122.729208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3145	0.00
2	A₁	1978	1978	0.00
3	A₁	1439	1439	0.00
4	A₁	760	760	0.00
5	B₁	700	700	0.00
6	B₂	3144	3144	0.11
7	B₂	2271	2271	277.74
8	B₂	1529	1529	29.13
9	B₂	1331	1331	10.80
10	E	3229	3229	0.04
10	E	3229	3229	0.04
11	E	1015	1015	0.11
11	E	1015	1015	0.11
12	E	880	880	56.41
12	E	880	880	56.41
13	E	559	559	0.81
13	E	559	559	0.81
14	E	345	345	0.02
14	E	345	345	0.02
15	E	144	144	5.29
15	E	144	144	5.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.271
C3	0.000	0.000	-1.271
C4	0.000	0.000	2.575
C5	0.000	0.000	-2.575
H6	0.000	0.928	3.133
H7	0.000	-0.928	3.133
H8	0.928	0.000	-3.133
H9	-0.928	0.000	-3.133

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2711	1.2711	2.5749	2.5749	3.2674	3.2674	3.2674	3.2674
C2	1.2711		2.5423	1.3038	3.8461	2.0803	2.0803	4.5007	4.5007
C3	1.2711	2.5423		3.8461	1.3038	4.5007	4.5007	2.0803	2.0803
C4	2.5749	1.3038	3.8461		5.1498	1.0831	1.0831	5.7827	5.7827
C5	2.5749	3.8461	1.3038	5.1498		5.7827	5.7827	1.0831	1.0831
H6	3.2674	2.0803	4.5007	1.0831	5.7827		1.8569	6.4015	6.4015
H7	3.2674	2.0803	4.5007	1.0831	5.7827	1.8569		6.4015	6.4015
H8	3.2674	4.5007	2.0803	5.7827	1.0831	6.4015	6.4015		1.8569
H9	3.2674	4.5007	2.0803	5.7827	1.0831	6.4015	6.4015	1.8569

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	120.997
C2	C4	H7	120.997	C3	C5	H8	120.997
C3	C5	H9	120.997	H6	C4	H7	118.007
H8	C5	H9	118.007

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.799
2	C	0.589
3	C	0.589
4	C	-0.555
5	C	-0.555
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	158.562
(<r²>)^1/2	12.592

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)