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	hartrees
Energy at 0K	-192.583243
Energy at 298.15K	-192.584825
HF Energy	-192.583243
Nuclear repulsion energy	122.056682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3017	0.00
2	A₁	1992	1901	0.00
3	A₁	1439	1374	0.00
4	A₁	767	732	0.00
5	B₁	700	668	0.00
6	B₂	3160	3016	0.95
7	B₂	2270	2166	159.80
8	B₂	1535	1465	14.11
9	B₂	1337	1276	6.77
10	E	3243	3095	0.69
10	E	3243	3095	0.69
11	E	1007	961	0.36
11	E	1007	961	0.36
12	E	855	816	60.97
12	E	855	816	60.97
13	E	581	554	0.06
13	E	581	554	0.06
14	E	353	337	0.17
14	E	353	337	0.17
15	E	159	152	3.05
15	E	159	152	3.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.278
C3	0.000	0.000	-1.278
C4	0.000	0.000	2.589
C5	0.000	0.000	-2.589
H6	0.000	0.929	3.155
H7	0.000	-0.929	3.155
H8	0.929	0.000	-3.155
H9	-0.929	0.000	-3.155

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2782	1.2782	2.5893	2.5893	3.2887	3.2887	3.2887	3.2887
C2	1.2782		2.5563	1.3112	3.8675	2.0939	2.0939	4.5292	4.5292
C3	1.2782	2.5563		3.8675	1.3112	4.5292	4.5292	2.0939	2.0939
C4	2.5893	1.3112	3.8675		5.1787	1.0873	1.0873	5.8188	5.8188
C5	2.5893	3.8675	1.3112	5.1787		5.8188	5.8188	1.0873	1.0873
H6	3.2887	2.0939	4.5292	1.0873	5.8188		1.8574	6.4449	6.4449
H7	3.2887	2.0939	4.5292	1.0873	5.8188	1.8574		6.4449	6.4449
H8	3.2887	4.5292	2.0939	5.8188	1.0873	6.4449	6.4449		1.8574
H9	3.2887	4.5292	2.0939	5.8188	1.0873	6.4449	6.4449	1.8574

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	121.337
C2	C4	H7	121.337	C3	C5	H8	121.337
C3	C5	H9	121.337	H6	C4	H7	117.325
H8	C5	H9	117.325

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HSEh1PBE/6-31G**

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	0.588
2	C	-0.135
3	C	-0.135
4	C	-0.485
5	C	-0.485
6	H	0.163
7	H	0.163
8	H	0.163
9	H	0.163

<r²>	159.780
(<r²>)^1/2	12.640

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)