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	hartrees
Energy at 0K	-193.449668
Energy at 298.15K	-193.455859
HF Energy	-192.789839
Nuclear repulsion energy	156.670296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3097	2.99
2	A₁	3264	3075	8.06
3	A₁	3089	2911	4.58
4	A₁	1580	1489	1.13
5	A₁	1478	1393	10.94
6	A₁	1443	1360	9.99
7	A₁	1159	1092	0.19
8	A₁	1053	992	0.03
9	A₁	963	907	9.19
10	A₁	820	772	0.04
11	A₂	1149	1083	0.00
12	A₂	896	844	0.00
13	A₂	704	663	0.00
14	A₂	506	476	0.00
15	B₁	3133	2952	6.11
16	B₁	948	893	19.49
17	B₁	924	870	0.00
18	B₁	686	646	70.90
19	B₁	334	315	9.81
20	B₂	3281	3091	18.44
21	B₂	3255	3067	2.94
22	B₂	1655	1559	0.74
23	B₂	1351	1273	1.82
24	B₂	1306	1231	1.57
25	B₂	1143	1077	1.58
26	B₂	1011	952	9.29
27	B₂	821	774	4.64

Atom	x (Å)	y (Å)	z (Å)
H1	0.879	0.000	1.873
H2	-0.879	0.000	1.873
H3	0.000	2.210	0.612
H4	0.000	-2.210	0.612
H5	0.000	1.349	-1.885
H6	0.000	-1.349	-1.885
C7	0.000	1.177	0.285
C8	0.000	-1.177	0.285
C9	0.000	0.000	1.214
C10	0.000	0.732	-0.992
C11	0.000	-0.732	-0.992

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7586	2.6927	2.6927	4.0884	4.0884	2.1633	2.1633	1.0990	3.0855	3.0855
H2	1.7586		2.6927	2.6927	4.0884	4.0884	2.1633	2.1633	1.0990	3.0855	3.0855
H3	2.6927	2.6927		4.4209	2.6409	4.3476	1.0842	3.4027	2.2910	2.1817	3.3510
H4	2.6927	2.6927	4.4209		4.3476	2.6409	3.4027	1.0842	2.2910	3.3510	2.1817
H5	4.0884	4.0884	2.6409	4.3476		2.6979	2.1766	3.3296	3.3796	1.0851	2.2639
H6	4.0884	4.0884	4.3476	2.6409	2.6979		3.3296	2.1766	3.3796	2.2639	1.0851
C7	2.1633	2.1633	1.0842	3.4027	2.1766	3.3296		2.3532	1.4991	1.3527	2.2963
C8	2.1633	2.1633	3.4027	1.0842	3.3296	2.1766	2.3532		1.4991	2.2963	1.3527
C9	1.0990	1.0990	2.2910	2.2910	3.3796	3.3796	1.4991	1.4991		2.3245	2.3245
C10	3.0855	3.0855	2.1817	3.3510	1.0851	2.2639	1.3527	2.2963	2.3245		1.4633
C11	3.0855	3.0855	3.3510	2.1817	2.2639	1.0851	2.2963	1.3527	2.3245	1.4633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.282	H1	C9	C7	111.822
H1	C9	C8	111.822	H2	C9	C7	111.822
H2	C9	C8	111.822	H3	C7	C9	124.170
H3	C7	C10	126.741	H4	C8	C9	124.170
H4	C8	C11	126.741	H5	C10	C7	126.122
H5	C10	C11	124.673	H6	C11	C8	126.122
H6	C11	C10	124.673	C7	C9	C8	103.413
C7	C10	C11	109.205	C8	C11	C10	109.205
C9	C7	C10	109.089	C9	C8	C11	109.089

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H6 (1,3-Cyclopentadiene)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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