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	hartrees
Energy at 0K	-193.630380
Energy at 298.15K	-193.636539
HF Energy	-192.835185
Nuclear repulsion energy	156.481978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3103	3.26
2	A₁	3247	3080	7.30
3	A₁	3074	2916	5.84
4	A₁	1544	1465	1.12
5	A₁	1428	1355	6.80
6	A₁	1409	1337	16.24
7	A₁	1130	1072	0.15
8	A₁	1037	984	0.08
9	A₁	949	900	10.15
10	A₁	808	766	0.00
11	A₂	1120	1062	0.00
12	A₂	903	857	0.00
13	A₂	691	656	0.00
14	A₂	503	477	0.00
15	B₁	3119	2959	5.96
16	B₁	925	877	4.63
17	B₁	915	868	23.98
18	B₁	671	636	74.73
19	B₁	317	301	8.65
20	B₂	3265	3097	17.62
21	B₂	3238	3072	2.37
22	B₂	1621	1537	0.28
23	B₂	1324	1256	1.74
24	B₂	1272	1207	1.28
25	B₂	1111	1054	1.59
26	B₂	993	942	10.41
27	B₂	811	769	4.97

Atom	x (Å)	y (Å)	z (Å)
H1	0.882	0.000	1.870
H2	-0.882	0.000	1.870
H3	0.000	2.212	0.611
H4	0.000	-2.212	0.611
H5	0.000	1.352	-1.884
H6	0.000	-1.352	-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		1.7640	2.6936	2.6936	4.0860	4.0860	2.1622	2.1622	1.0983	3.0846	3.0846
H2	1.7640		2.6936	2.6936	4.0860	4.0860	2.1622	2.1622	1.0983	3.0846	3.0846
H3	2.6936	2.6936		4.4247	2.6396	4.3508	1.0832	3.4069	2.2933	2.1827	3.3545
H4	2.6936	2.6936	4.4247		4.3508	2.6396	3.4069	1.0832	2.2933	3.3545	2.1827
H5	4.0860	4.0860	2.6396	4.3508		2.7034	2.1772	3.3339	3.3812	1.0840	2.2670
H6	4.0860	4.0860	4.3508	2.6396	2.7034		3.3339	2.1772	3.3812	2.2670	1.0840
C7	2.1622	2.1622	1.0832	3.4069	2.1772	3.3339		2.3580	1.5010	1.3555	2.3011
C8	2.1622	2.1622	3.4069	1.0832	3.3339	2.1772	2.3580		1.5010	2.3011	1.3555
C9	1.0983	1.0983	2.2933	2.2933	3.3812	3.3812	1.5010	1.5010		2.3275	2.3275
C10	3.0846	3.0846	2.1827	3.3545	1.0840	2.2670	1.3555	2.3011	2.3275		1.4664
C11	3.0846	3.0846	3.3545	2.1827	2.2670	1.0840	2.3011	1.3555	2.3275	1.4664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.853	H1	C9	C7	111.639
H1	C9	C8	111.639	H2	C9	C7	111.639
H2	C9	C8	111.639	H3	C7	C9	124.304
H3	C7	C10	126.664	H4	C8	C9	124.304
H4	C8	C11	126.664	H5	C10	C7	126.008
H5	C10	C11	124.790	H6	C11	C8	126.008
H6	C11	C10	124.790	C7	C9	C8	103.531
C7	C10	C11	109.203	C8	C11	C10	109.203
C9	C7	C10	109.032	C9	C8	C11	109.032

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)