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	hartrees
Energy at 0K	-193.676607
Energy at 298.15K	-193.682815
HF Energy	-192.858867
Nuclear repulsion energy	156.880197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3109	2.44
2	A₁	3238	3085	5.56
3	A₁	3060	2916	4.35
4	A₁	1526	1454	0.46
5	A₁	1418	1351	11.45
6	A₁	1401	1335	14.15
7	A₁	1122	1069	0.11
8	A₁	1031	983	0.34
9	A₁	941	897	10.49
10	A₁	808	770	0.01
11	A₂	1127	1074	0.00
12	A₂	939	894	0.00
13	A₂	706	673	0.00
14	A₂	513	489	0.00
15	B₁	3103	2957	2.44
16	B₁	948	903	0.48
17	B₁	908	866	34.00
18	B₁	681	649	72.04
19	B₁	333	317	6.83
20	B₂	3255	3102	12.86
21	B₂	3228	3076	2.07
22	B₂	1603	1528	0.00
23	B₂	1313	1251	1.10
24	B₂	1262	1203	1.46
25	B₂	1102	1051	1.25
26	B₂	987	941	12.37
27	B₂	813	775	5.05

Atom	x (Å)	y (Å)	z (Å)
H1	0.878	0.000	1.867
H2	-0.878	0.000	1.867
H3	0.000	2.205	0.611
H4	0.000	-2.205	0.611
H5	0.000	1.346	-1.879
H6	0.000	-1.346	-1.879
C7	0.000	1.176	0.286
C8	0.000	-1.176	0.286
C9	0.000	0.000	1.212
C10	0.000	0.731	-0.992
C11	0.000	-0.731	-0.992

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7551	2.6853	2.6853	4.0765	4.0765	2.1572	2.1572	1.0949	3.0783	3.0783
H2	1.7551		2.6853	2.6853	4.0765	4.0765	2.1572	2.1572	1.0949	3.0783	3.0783
H3	2.6853	2.6853		4.4105	2.6345	4.3376	1.0795	3.3968	2.2857	2.1775	3.3452
H4	2.6853	2.6853	4.4105		4.3376	2.6345	3.3968	1.0795	2.2857	3.3452	2.1775
H5	4.0765	4.0765	2.6345	4.3376		2.6923	2.1718	3.3240	3.3721	1.0801	2.2590
H6	4.0765	4.0765	4.3376	2.6345	2.6923		3.3240	2.1718	3.3721	2.2590	1.0801
C7	2.1572	2.1572	1.0795	3.3968	2.1718	3.3240		2.3519	1.4972	1.3525	2.2952
C8	2.1572	2.1572	3.3968	1.0795	3.3240	2.1718	2.3519		1.4972	2.2952	1.3525
C9	1.0949	1.0949	2.2857	2.2857	3.3721	3.3721	1.4972	1.4972		2.3220	2.3220
C10	3.0783	3.0783	2.1775	3.3452	1.0801	2.2590	1.3525	2.2952	2.3220		1.4621
C11	3.0783	3.0783	3.3452	2.1775	2.2590	1.0801	2.2952	1.3525	2.3220	1.4621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.553	H1	C9	C7	111.721
H1	C9	C8	111.721	H2	C9	C7	111.721
H2	C9	C8	111.721	H3	C7	C9	124.219
H3	C7	C10	126.748	H4	C8	C9	124.219
H4	C8	C11	126.748	H5	C10	C7	126.081
H5	C10	C11	124.714	H6	C11	C8	126.081
H6	C11	C10	124.714	C7	C9	C8	103.524
C7	C10	C11	109.204	C8	C11	C10	109.204
C9	C7	C10	109.034	C9	C8	C11	109.034

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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