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	hartrees
Energy at 0K	-191.597400
Energy at 298.15K	-191.599210
HF Energy	-191.597400
Nuclear repulsion energy	123.451522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	2974	0.00
2	A₁	2080	1886	0.00
3	A₁	1557	1411	0.00
4	A₁	797	722	0.00
5	B₁	747	677	0.00
6	B₂	3280	2973	1.98
7	B₂	2386	2163	369.06
8	B₂	1640	1487	13.99
9	B₂	1411	1279	22.11
10	E	3363	3048	0.57
10	E	3363	3048	0.57
11	E	1105	1002	0.55
11	E	1105	1002	0.55
12	E	1000	906	59.51
12	E	1000	906	59.51
13	E	591	536	0.92
13	E	591	536	0.92
14	E	379	344	0.03
14	E	379	344	0.03
15	E	162	147	5.93
15	E	162	147	5.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.265
C3	0.000	0.000	-1.265
C4	0.000	0.000	2.561
C5	0.000	0.000	-2.561
H6	0.000	0.921	3.113
H7	0.000	-0.921	3.113
H8	0.921	0.000	-3.113
H9	-0.921	0.000	-3.113

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2649	1.2649	2.5609	2.5609	3.2462	3.2462	3.2462	3.2462
C2	1.2649		2.5299	1.2960	3.8258	2.0647	2.0647	4.4735	4.4735
C3	1.2649	2.5299		3.8258	1.2960	4.4735	4.4735	2.0647	2.0647
C4	2.5609	1.2960	3.8258		5.1218	1.0739	1.0739	5.7479	5.7479
C5	2.5609	3.8258	1.2960	5.1218		5.7479	5.7479	1.0739	1.0739
H6	3.2462	2.0647	4.4735	1.0739	5.7479		1.8426	6.3603	6.3603
H7	3.2462	2.0647	4.4735	1.0739	5.7479	1.8426		6.3603	6.3603
H8	3.2462	4.4735	2.0647	5.7479	1.0739	6.3603	6.3603		1.8426
H9	3.2462	4.4735	2.0647	5.7479	1.0739	6.3603	6.3603	1.8426

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	120.918
C2	C4	H7	120.918	C3	C5	H8	120.918
C3	C5	H9	120.918	H6	C4	H7	118.163
H8	C5	H9	118.163

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: HF/Def2TZVPP

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	-0.099
2	C	-0.035
3	C	-0.035
4	C	-0.097
5	C	-0.097
6	H	0.091
7	H	0.091
8	H	0.091
9	H	0.091

<r²>	157.175
(<r²>)^1/2	12.537

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)