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	hartrees
Energy at 0K	-192.721334
Energy at 298.15K	-192.722889
HF Energy	-192.721334
Nuclear repulsion energy	122.109696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3029	0.00
2	A₁	1982	1896	0.00
3	A₁	1434	1372	0.00
4	A₁	764	731	0.00
5	B₁	694	664	0.00
6	B₂	3166	3028	0.27
7	B₂	2262	2164	222.50
8	B₂	1528	1462	24.61
9	B₂	1332	1274	9.78
10	E	3250	3109	0.25
10	E	3250	3109	0.25
11	E	1005	961	0.16
11	E	1005	961	0.16
12	E	862	824	68.64
12	E	862	824	68.64
13	E	572	547	1.08
13	E	572	547	1.08
14	E	347	332	0.14
14	E	347	332	0.14
15	E	157	150	5.29
15	E	157	150	5.29

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	0.928	3.151
H7	0.000	-0.928	3.151
H8	0.928	0.000	-3.151
H9	-0.928	0.000	-3.151

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2778	1.2778	2.5890	2.5890	3.2852	3.2852	3.2852	3.2852
C2	1.2778		2.5557	1.3112	3.8669	2.0908	2.0908	4.5254	4.5254
C3	1.2778	2.5557		3.8669	1.3112	4.5254	4.5254	2.0908	2.0908
C4	2.5890	1.3112	3.8669		5.1781	1.0852	1.0852	5.8149	5.8149
C5	2.5890	3.8669	1.3112	5.1781		5.8149	5.8149	1.0852	1.0852
H6	3.2852	2.0908	4.5254	1.0852	5.8149		1.8563	6.4379	6.4379
H7	3.2852	2.0908	4.5254	1.0852	5.8149	1.8563		6.4379	6.4379
H8	3.2852	4.5254	2.0908	5.8149	1.0852	6.4379	6.4379		1.8563
H9	3.2852	4.5254	2.0908	5.8149	1.0852	6.4379	6.4379	1.8563

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	121.208
C2	C4	H7	121.208	C3	C5	H8	121.208
C3	C5	H9	121.208	H6	C4	H7	117.584
H8	C5	H9	117.584

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: B1B95/6-31+G**

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	0.680
2	C	-0.077
3	C	-0.077
4	C	-0.618
5	C	-0.618
6	H	0.177
7	H	0.177
8	H	0.177
9	H	0.177

<r²>	160.155
(<r²>)^1/2	12.655

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)