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	hartrees
Energy at 0K	-192.552219
Energy at 298.15K	-192.553658
HF Energy	-192.552219
Nuclear repulsion energy	121.115501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3031	0.00
2	A₁	1925	1898	0.00
3	A₁	1410	1390	0.00
4	A₁	744	733	0.00
5	B₁	678	668	0.00
6	B₂	3074	3030	3.79
7	B₂	2194	2163	113.16
8	B₂	1487	1465	12.83
9	B₂	1308	1289	6.89
10	E	3145	3100	1.81
10	E	3145	3100	1.81
11	E	983	969	0.61
11	E	983	969	0.61
12	E	794	782	60.37
12	E	794	782	60.37
13	E	568	560	0.01
13	E	568	560	0.01
14	E	341	336	0.21
14	E	341	336	0.21
15	E	156	153	2.74
15	E	156	153	2.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.287
C3	0.000	0.000	-1.287
C4	0.000	0.000	2.609
C5	0.000	0.000	-2.609
H6	0.000	0.934	3.184
H7	0.000	-0.934	3.184
H8	0.934	0.000	-3.184
H9	-0.934	0.000	-3.184

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2867	1.2867	2.6089	2.6089	3.3181	3.3181	3.3181	3.3181
C2	1.2867		2.5734	1.3222	3.8956	2.1147	2.1147	4.5672	4.5672
C3	1.2867	2.5734		3.8956	1.3222	4.5672	4.5672	2.1147	2.1147
C4	2.6089	1.3222	3.8956		5.2178	1.0968	1.0968	5.8677	5.8677
C5	2.6089	3.8956	1.3222	5.2178		5.8677	5.8677	1.0968	1.0968
H6	3.3181	2.1147	4.5672	1.0968	5.8677		1.8679	6.5034	6.5034
H7	3.3181	2.1147	4.5672	1.0968	5.8677	1.8679		6.5034	6.5034
H8	3.3181	4.5672	2.1147	5.8677	1.0968	6.5034	6.5034		1.8679
H9	3.3181	4.5672	2.1147	5.8677	1.0968	6.5034	6.5034	1.8679

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	121.621
C2	C4	H7	121.621	C3	C5	H8	121.621
C3	C5	H9	121.621	H6	C4	H7	116.758
H8	C5	H9	116.758

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: PBEPBE/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	0.677
2	C	-0.086
3	C	-0.086
4	C	-0.629
5	C	-0.629
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	162.088
(<r²>)^1/2	12.731

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)