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	hartrees
Energy at 0K	-192.761525
Energy at 298.15K	-192.763015
HF Energy	-192.761525
Nuclear repulsion energy	122.467052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3147	0.00
2	A₁	1986	1986	0.00
3	A₁	1448	1448	0.00
4	A₁	760	760	0.00
5	B₁	704	704	0.00
6	B₂	3146	3146	4.50
7	B₂	2284	2284	212.86
8	B₂	1536	1536	18.67
9	B₂	1335	1335	8.30
10	E	3230	3230	1.51
10	E	3230	3230	1.51
11	E	1025	1025	0.21
11	E	1025	1025	0.21
12	E	869	869	62.90
12	E	869	869	62.90
13	E	549	549	0.81
13	E	549	549	0.81
14	E	338	338	0.16
14	E	338	338	0.16
15	E	147	147	4.64
15	E	147	147	4.64

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	2.580
C5	0.000	0.000	-2.580
H6	0.000	0.929	3.142
H7	0.000	-0.929	3.142
H8	0.929	0.000	-3.142
H9	-0.929	0.000	-3.142

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2736	1.2736	2.5801	2.5801	3.2764	3.2764	3.2764	3.2764
C2	1.2736		2.5471	1.3065	3.8537	2.0866	2.0866	4.5121	4.5121
C3	1.2736	2.5471		3.8537	1.3065	4.5121	4.5121	2.0866	2.0866
C4	2.5801	1.3065	3.8537		5.1602	1.0859	1.0859	5.7969	5.7969
C5	2.5801	3.8537	1.3065	5.1602		5.7969	5.7969	1.0859	1.0859
H6	3.2764	2.0866	4.5121	1.0859	5.7969		1.8587	6.4196	6.4196
H7	3.2764	2.0866	4.5121	1.0859	5.7969	1.8587		6.4196	6.4196
H8	3.2764	4.5121	2.0866	5.7969	1.0859	6.4196	6.4196		1.8587
H9	3.2764	4.5121	2.0866	5.7969	1.0859	6.4196	6.4196	1.8587

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	121.150
C2	C4	H7	121.150	C3	C5	H8	121.150
C3	C5	H9	121.150	H6	C4	H7	117.700
H8	C5	H9	117.700

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: wB97X-D/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	0.086
2	C	-0.061
3	C	-0.061
4	C	-0.480
5	C	-0.480
6	H	0.249
7	H	0.249
8	H	0.249
9	H	0.249

<r²>	159.013
(<r²>)^1/2	12.610

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)