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	hartrees
Energy at 0K	-193.460758
Energy at 298.15K	-193.466986
HF Energy	-192.790181
Nuclear repulsion energy	156.308822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3091	3.19
2	A₁	3241	3068	10.75
3	A₁	3066	2902	10.47
4	A₁	1626	1539	1.47
5	A₁	1491	1411	7.65
6	A₁	1445	1368	8.53
7	A₁	1163	1100	0.10
8	A₁	1039	983	0.05
9	A₁	956	905	7.95
10	A₁	822	778	0.01
11	A₂	1164	1102	0.00
12	A₂	907	859	0.00
13	A₂	718	680	0.00
14	A₂	509	482	0.00
15	B₁	3102	2936	11.63
16	B₁	966	914	17.95
17	B₁	933	883	1.56
18	B₁	685	649	71.55
19	B₁	347	329	6.74
20	B₂	3259	3084	25.38
21	B₂	3232	3059	2.25
22	B₂	1695	1604	0.25
23	B₂	1361	1288	1.98
24	B₂	1322	1252	0.61
25	B₂	1147	1086	1.12
26	B₂	1006	952	7.44
27	B₂	826	782	3.44

Atom	x (Å)	y (Å)	z (Å)
H1	0.881	0.000	1.879
H2	-0.881	0.000	1.879
H3	0.000	2.215	0.610
H4	0.000	-2.215	0.610
H5	0.000	1.354	-1.887
H6	0.000	-1.354	-1.887
C7	0.000	1.180	0.282
C8	0.000	-1.180	0.282
C9	0.000	0.000	1.219
C10	0.000	0.737	-0.992
C11	0.000	-0.737	-0.992

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7627	2.7008	2.7008	4.0976	4.0976	2.1726	2.1726	1.1012	3.0922	3.0922
H2	1.7627		2.7008	2.7008	4.0976	4.0976	2.1726	2.1726	1.1012	3.0922	3.0922
H3	2.7008	2.7008		4.4301	2.6411	4.3552	1.0859	3.4107	2.2973	2.1797	3.3584
H4	2.7008	2.7008	4.4301		4.3552	2.6411	3.4107	1.0859	2.2973	3.3584	2.1797
H5	4.0976	4.0976	2.6411	4.3552		2.7070	2.1755	3.3347	3.3878	1.0868	2.2738
H6	4.0976	4.0976	4.3552	2.6411	2.7070		3.3347	2.1755	3.3878	2.2738	1.0868
C7	2.1726	2.1726	1.0859	3.4107	2.1755	3.3347		2.3597	1.5068	1.3485	2.3012
C8	2.1726	2.1726	3.4107	1.0859	3.3347	2.1755	2.3597		1.5068	2.3012	1.3485
C9	1.1012	1.1012	2.2973	2.2973	3.3878	3.3878	1.5068	1.5068		2.3303	2.3303
C10	3.0922	3.0922	2.1797	3.3584	1.0868	2.2738	1.3485	2.3012	2.3303		1.4735
C11	3.0922	3.0922	3.3584	2.1797	2.2738	1.0868	2.3012	1.3485	2.3303	1.4735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.332	H1	C9	C7	111.893
H1	C9	C8	111.893	H2	C9	C7	111.893
H2	C9	C8	111.893	H3	C7	C9	123.957
H3	C7	C10	126.766	H4	C8	C9	123.957
H4	C8	C11	126.766	H5	C10	C7	126.243
H5	C10	C11	124.574	H6	C11	C8	126.243
H6	C11	C10	124.574	C7	C9	C8	103.081
C7	C10	C11	109.183	C8	C11	C10	109.183
C9	C7	C10	109.277	C9	C8	C11	109.277

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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