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	hartrees
Energy at 0K	-192.156878
Energy at 298.15K	-192.163126
HF Energy	-191.713843
Nuclear repulsion energy	154.798000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3123	2.82
2	A₁	3241	3093	6.86
3	A₁	3089	2949	3.02
4	A₁	1544	1473	3.14
5	A₁	1507	1439	7.80
6	A₁	1411	1347	7.75
7	A₁	1176	1123	0.33
8	A₁	974	929	0.07
9	A₁	892	851	7.11
10	A₁	844	806	0.01
11	A₂	1186	1132	0.00
12	A₂	903	862	0.00
13	A₂	720	687	0.00
14	A₂	524	500	0.00
15	B₁	3131	2989	6.22
16	B₁	972	928	14.25
17	B₁	932	890	1.49
18	B₁	679	648	94.47
19	B₁	357	340	9.97
20	B₂	3260	3112	18.14
21	B₂	3232	3085	1.70
22	B₂	1598	1525	1.05
23	B₂	1360	1298	0.22
24	B₂	1271	1213	6.58
25	B₂	1162	1109	0.84
26	B₂	963	919	8.93
27	B₂	837	799	1.68

Atom	x (Å)	y (Å)	z (Å)
H1	0.891	0.000	1.884
H2	-0.891	0.000	1.884
H3	0.000	2.227	0.610
H4	0.000	-2.227	0.610
H5	0.000	1.359	-1.896
H6	0.000	-1.359	-1.896
C7	0.000	1.195	0.282
C8	0.000	-1.195	0.282
C9	0.000	0.000	1.242
C10	0.000	0.747	-1.002
C11	0.000	-0.747	-1.002

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7813	2.7158	2.7158	4.1146	4.1146	2.1887	2.1887	1.0981	3.1115	3.1115
H2	1.7813		2.7158	2.7158	4.1146	4.1146	2.1887	2.1887	1.0981	3.1115	3.1115
H3	2.7158	2.7158		4.4539	2.6521	4.3751	1.0825	3.4382	2.3148	2.1882	3.3831
H4	2.7158	2.7158	4.4539		4.3751	2.6521	3.4382	1.0825	2.3148	3.3831	2.1882
H5	4.1146	4.1146	2.6521	4.3751		2.7185	2.1838	3.3569	3.4196	1.0834	2.2884
H6	4.1146	4.1146	4.3751	2.6521	2.7185		3.3569	2.1838	3.4196	2.2884	1.0834
C7	2.1887	2.1887	1.0825	3.4382	2.1838	3.3569		2.3910	1.5334	1.3596	2.3286
C8	2.1887	2.1887	3.4382	1.0825	3.3569	2.1838	2.3910		1.5334	2.3286	1.3596
C9	1.0981	1.0981	2.3148	2.3148	3.4196	3.4196	1.5334	1.5334		2.3650	2.3650
C10	3.1115	3.1115	2.1882	3.3831	1.0834	2.2884	1.3596	2.3286	2.3650		1.4947
C11	3.1115	3.1115	3.3831	2.1882	2.2884	1.0834	2.3286	1.3596	2.3650	1.4947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	108.406	H1	C9	C7	111.487
H1	C9	C8	111.487	H2	C9	C7	111.487
H2	C9	C8	111.487	H3	C7	C9	123.562
H3	C7	C10	126.911	H4	C8	C9	123.562
H4	C8	C11	126.911	H5	C10	C7	126.367
H5	C10	C11	124.388	H6	C11	C8	126.367
H6	C11	C10	124.388	C7	C9	C8	102.456
C7	C10	C11	109.245	C8	C11	C10	109.245
C9	C7	C10	109.527	C9	C8	C11	109.527

All results from a given calculation for C₅H₆ (1,3-Cyclopentadiene)

using model chemistry: MP2/3-21G

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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All results from a given calculation for C5H6 (1,3-Cyclopentadiene)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₅H₆ (1,3-Cyclopentadiene)