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	hartrees
Energy at 0K	-190.747712
Energy at 298.15K	-190.753802
HF Energy	-190.449768
Nuclear repulsion energy	153.870026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3560	3104	0.02
2	A₁	3530	3078	7.90
3	A₁	3385	2951	0.00
4	A₁	1689	1472	1.61
5	A₁	1666	1453	1.26
6	A₁	1530	1334	2.39
7	A₁	1207	1052	0.25
8	A₁	1078	940	0.97
9	A₁	1003	875	0.75
10	A₁	848	740	0.16
11	A₂	1255	1095	0.00
12	A₂	1008	879	0.00
13	A₂	784	683	0.00
14	A₂	542	473	0.00
15	B₁	3490	3043	0.50
16	B₁	1038	905	1.32
17	B₁	1028	896	0.04
18	B₁	728	635	22.80
19	B₁	365	318	4.48
20	B₂	3551	3096	0.04
21	B₂	3524	3073	2.47
22	B₂	1745	1521	0.55
23	B₂	1449	1263	0.22
24	B₂	1400	1221	0.30
25	B₂	1194	1041	0.35
26	B₂	1069	932	1.04
27	B₂	858	748	1.54

Atom	x (Å)	y (Å)	z (Å)
H1	0.894	0.000	1.906
H2	-0.894	0.000	1.906
H3	0.000	2.246	0.617
H4	0.000	-2.246	0.617
H5	0.000	1.370	-1.915
H6	0.000	-1.370	-1.915
C7	0.000	1.200	0.280
C8	0.000	-1.200	0.280
C9	0.000	0.000	1.249
C10	0.000	0.753	-1.005
C11	0.000	-0.753	-1.005

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7881	2.7390	2.7390	4.1559	4.1559	2.2098	2.2098	1.1092	3.1369	3.1369
H2	1.7881		2.7390	2.7390	4.1559	4.1559	2.2098	2.2098	1.1092	3.1369	3.1369
H3	2.7390	2.7390		4.4911	2.6791	4.4136	1.0985	3.4621	2.3328	2.2042	3.4095
H4	2.7390	2.7390	4.4911		4.4136	2.6791	3.4621	1.0985	2.3328	3.4095	2.2042
H5	4.1559	4.1559	2.6791	4.4136		2.7393	2.2011	3.3794	3.4477	1.0988	2.3096
H6	4.1559	4.1559	4.4136	2.6791	2.7393		3.3794	2.2011	3.4477	2.3096	1.0988
C7	2.2098	2.2098	1.0985	3.4621	2.2011	3.3794		2.4002	1.5427	1.3605	2.3382
C8	2.2098	2.2098	3.4621	1.0985	3.3794	2.2011	2.4002		1.5427	2.3382	1.3605
C9	1.1092	1.1092	2.3328	2.3328	3.4477	3.4477	1.5427	1.5427		2.3769	2.3769
C10	3.1369	3.1369	2.2042	3.4095	1.0988	2.3096	1.3605	2.3382	2.3769		1.5066
C11	3.1369	3.1369	3.4095	2.2042	2.3096	1.0988	2.3382	1.3605	2.3769	1.5066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	107.416	H1	C9	C7	111.834
H1	C9	C8	111.834	H2	C9	C7	111.834
H2	C9	C8	111.834	H3	C7	C9	123.191
H3	C7	C10	127.056	H4	C8	C9	123.191
H4	C8	C11	127.056	H5	C10	C7	126.703
H5	C10	C11	124.122	H6	C11	C8	126.703
H6	C11	C10	124.122	C7	C9	C8	102.144
C7	C10	C11	109.175	C8	C11	C10	109.175
C9	C7	C10	109.753	C9	C8	C11	109.753

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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