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	hartrees
Energy at 0K	-192.156878
Energy at 298.15K	-192.163113
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	3112	2.82
2	A₁	3241	3083	6.86
3	A₁	3089	2939	3.02
4	A₁	1544	1469	3.14
5	A₁	1507	1434	7.80
6	A₁	1411	1343	7.75
7	A₁	1176	1119	0.33
8	A₁	974	926	0.07
9	A₁	892	848	7.11
10	A₁	844	803	0.01
11	A₂	1186	1129	0.00
12	A₂	903	859	0.00
13	A₂	720	685	0.00
14	A₂	524	498	0.00
15	B₁	3131	2979	6.22
16	B₁	972	925	14.25
17	B₁	932	887	1.49
18	B₁	679	646	94.47
19	B₁	357	339	9.97
20	B₂	3260	3102	18.14
21	B₂	3232	3074	1.70
22	B₂	1598	1520	1.05
23	B₂	1360	1294	0.22
24	B₂	1271	1209	6.58
25	B₂	1162	1105	0.84
26	B₂	963	916	8.93
27	B₂	837	796	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)