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	hartrees
Energy at 0K	-193.585523
Energy at 298.15K	-193.591668
HF Energy	-192.824565
Nuclear repulsion energy	156.480464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3091	3.90
2	A₁	3240	3069	8.68
3	A₁	3071	2908	5.52
4	A₁	1548	1466	0.67
5	A₁	1447	1370	13.14
6	A₁	1419	1344	14.53
7	A₁	1139	1078	0.30
8	A₁	1040	985	0.10
9	A₁	953	902	11.44
10	A₁	812	769	0.01
11	A₂	1140	1079	0.00
12	A₂	877	831	0.00
13	A₂	686	650	0.00
14	A₂	503	476	0.00
15	B₁	3115	2950	5.86
16	B₁	920	871	27.78
17	B₁	907	859	0.01
18	B₁	671	635	91.55
19	B₁	321	304	9.54
20	B₂	3257	3085	20.50
21	B₂	3232	3061	2.08
22	B₂	1625	1539	0.73
23	B₂	1330	1259	2.33
24	B₂	1284	1216	1.92
25	B₂	1120	1061	1.96
26	B₂	999	946	12.57
27	B₂	816	773	4.76

Atom	x (Å)	y (Å)	z (Å)
H1	0.880	0.000	1.873
H2	-0.880	0.000	1.873
H3	0.000	2.213	0.610
H4	0.000	-2.213	0.610
H5	0.000	1.353	-1.884
H6	0.000	-1.353	-1.884
C7	0.000	1.179	0.286
C8	0.000	-1.179	0.286
C9	0.000	0.000	1.215
C10	0.000	0.733	-0.994
C11	0.000	-0.733	-0.994

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7593	2.6953	2.6953	4.0885	4.0885	2.1630	2.1630	1.0981	3.0866	3.0866
H2	1.7593		2.6953	2.6953	4.0885	4.0885	2.1630	2.1630	1.0981	3.0866	3.0866
H3	2.6953	2.6953		4.4261	2.6386	4.3518	1.0841	3.4071	2.2943	2.1826	3.3546
H4	2.6953	2.6953	4.4261		4.3518	2.6386	3.4071	1.0841	2.2943	3.3546	2.1826
H5	4.0885	4.0885	2.6386	4.3518		2.7057	2.1775	3.3345	3.3817	1.0847	2.2680
H6	4.0885	4.0885	4.3518	2.6386	2.7057		3.3345	2.1775	3.3817	2.2680	1.0847
C7	2.1630	2.1630	1.0841	3.4071	2.1775	3.3345		2.3571	1.5006	1.3555	2.3007
C8	2.1630	2.1630	3.4071	1.0841	3.3345	2.1775	2.3571		1.5006	2.3007	1.3555
C9	1.0981	1.0981	2.2943	2.2943	3.3817	3.3817	1.5006	1.5006		2.3275	2.3275
C10	3.0866	3.0866	2.1826	3.3546	1.0847	2.2680	1.3555	2.3007	2.3275		1.4662
C11	3.0866	3.0866	3.3546	2.1826	2.2680	1.0847	2.3007	1.3555	2.3275	1.4662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.465	H1	C9	C7	111.747
H1	C9	C8	111.747	H2	C9	C7	111.747
H2	C9	C8	111.747	H3	C7	C9	124.370
H3	C7	C10	126.573	H4	C8	C9	124.370
H4	C8	C11	126.573	H5	C10	C7	125.969
H5	C10	C11	124.845	H6	C11	C8	125.969
H6	C11	C10	124.845	C7	C9	C8	103.514
C7	C10	C11	109.185	C8	C11	C10	109.185
C9	C7	C10	109.058	C9	C8	C11	109.058

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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