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	hartrees
Energy at 0K	-31.537735
Energy at 298.15K	-31.543816
HF Energy	-30.897594
Nuclear repulsion energy	80.792796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3098	4.42
2	A'	3245	3092	26.43
3	A'	3229	3076	11.57
4	A'	3220	3068	2.12
5	A'	3058	2914	9.68
6	A'	1602	1526	0.05
7	A'	1528	1456	0.77
8	A'	1452	1383	12.06
9	A'	1411	1344	10.74
10	A'	1324	1262	2.01
11	A'	1283	1222	0.67
12	A'	1129	1076	0.27
13	A'	1116	1063	1.83
14	A'	1028	979	0.26
15	A'	990	943	11.88
16	A'	942	898	10.26
17	A'	806	768	4.71
18	A'	802	764	0.00
19	A"	3108	2961	9.50
20	A"	1126	1073	0.00
21	A"	921	878	35.47
22	A"	894	852	0.05
23	A"	846	806	0.00
24	A"	677	645	0.00
25	A"	664	633	100.29
26	A"	488	465	0.00
27	A"	311	296	7.99

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	1.865	0.884
H2	0.000	1.865	-0.884
C3	0.000	1.210	0.000
H4	-2.224	0.598	0.000
C5	-1.187	0.273	0.000
H6	2.224	0.598	0.000
C7	1.187	0.273	0.000
H8	1.359	-1.909	0.000
C9	0.738	-1.016	0.000
H10	-1.359	-1.909	0.000
C11	-0.738	-1.016	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	C11
H1		1.7684	1.1004	2.7081	2.1737	2.7081	2.1737	4.1076	3.1031	4.1076	3.1031
H2	1.7684		1.1004	2.7081	2.1737	2.7081	2.1737	4.1076	3.1031	4.1076	3.1031
C3	1.1004	1.1004		2.3067	1.5122	2.3067	1.5122	3.4023	2.3456	3.4023	2.3456
H4	2.7081	2.7081	2.3067		1.0865	4.4479	3.4264	4.3726	3.3735	2.6520	2.1936
C5	2.1737	2.1737	1.5122	1.0865		3.4264	2.3741	3.3531	2.3174	2.1892	1.3654
H6	2.7081	2.7081	2.3067	4.4479	3.4264		1.0865	2.6520	2.1936	4.3726	3.3735
C7	2.1737	2.1737	1.5122	3.4264	2.3741	1.0865		2.1892	1.3654	3.3531	2.3174
H8	4.1076	4.1076	3.4023	4.3726	3.3531	2.6520	2.1892		1.0872	2.7173	2.2792
C9	3.1031	3.1031	2.3456	3.3735	2.3174	2.1936	1.3654	1.0872		2.2792	1.4768
H10	4.1076	4.1076	3.4023	2.6520	2.1892	4.3726	3.3531	2.7173	2.2792		1.0872
C11	3.1031	3.1031	2.3456	2.1936	1.3654	3.3735	2.3174	2.2792	1.4768	1.0872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	33.110	H1	C9	C7	36.985
H1	C9	C8	153.941	H2	C9	C7	36.985
H2	C9	C8	153.941	H3	C7	C9	109.097
H3	C7	C10	78.887	H4	C8	C9	20.231
H4	C8	C11	11.919	H5	C10	C7	44.897
H5	C10	C11	30.291	H6	C11	C8	51.647
H6	C11	C10	153.371	C7	C9	C8	126.029
C7	C10	C11	14.606	C8	C11	C10	101.724
C9	C7	C10	30.210	C9	C8	C11	32.149

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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