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	hartrees
Energy at 0K	-193.740988
Energy at 298.15K	-193.747247
HF Energy	-192.857891
Nuclear repulsion energy	157.565079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3125	2.75
2	A₁	3263	3098	5.09
3	A₁	3082	2926	4.17
4	A₁	1549	1470	0.72
5	A₁	1429	1356	1.79
6	A₁	1415	1344	24.06
7	A₁	1142	1084	0.14
8	A₁	1043	990	0.20
9	A₁	952	904	10.87
10	A₁	814	773	0.01
11	A₂	1130	1073	0.00
12	A₂	959	911	0.00
13	A₂	723	687	0.00
14	A₂	524	497	0.00
15	B₁	3114	2956	2.88
16	B₁	961	912	0.07
17	B₁	923	876	35.04
18	B₁	692	657	64.74
19	B₁	337	320	8.16
20	B₂	3283	3117	13.16
21	B₂	3253	3088	1.87
22	B₂	1627	1545	0.19
23	B₂	1332	1264	1.25
24	B₂	1272	1208	1.77
25	B₂	1121	1064	1.30
26	B₂	995	945	11.51
27	B₂	817	776	5.14

Atom	x (Å)	y (Å)	z (Å)
H1	0.879	0.000	1.849
H2	-0.879	0.000	1.849
H3	0.000	2.192	0.620
H4	0.000	-2.192	0.620
H5	0.000	1.330	-1.875
H6	0.000	-1.330	-1.875
C7	0.000	1.173	0.283
C8	0.000	-1.173	0.283
C9	0.000	0.000	1.205
C10	0.000	0.729	-0.985
C11	0.000	-0.729	-0.985

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7572	2.6626	2.6626	4.0512	4.0512	2.1448	2.1448	1.0893	3.0559	3.0559
H2	1.7572		2.6626	2.6626	4.0512	4.0512	2.1448	2.1448	1.0893	3.0559	3.0559
H3	2.6626	2.6626		4.3843	2.6395	4.3164	1.0734	3.3819	2.2690	2.1717	3.3333
H4	2.6626	2.6626	4.3843		4.3164	2.6395	3.3819	1.0734	2.2690	3.3333	2.1717
H5	4.0512	4.0512	2.6395	4.3164		2.6604	2.1640	3.3051	3.3553	1.0737	2.2434
H6	4.0512	4.0512	4.3164	2.6395	2.6604		3.3051	2.1640	3.3553	2.2434	1.0737
C7	2.1448	2.1448	1.0734	3.3819	2.1640	3.3051		2.3458	1.4920	1.3438	2.2863
C8	2.1448	2.1448	3.3819	1.0734	3.3051	2.1640	2.3458		1.4920	2.2863	1.3438
C9	1.0893	1.0893	2.2690	2.2690	3.3553	3.3553	1.4920	1.4920		2.3088	2.3088
C10	3.0559	3.0559	2.1717	3.3333	1.0737	2.2434	1.3438	2.2863	2.3088		1.4585
C11	3.0559	3.0559	3.3333	2.1717	2.2434	1.0737	2.2863	1.3438	2.3088	1.4585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	107.525	H1	C9	C7	111.429
H1	C9	C8	111.429	H2	C9	C7	111.429
H2	C9	C8	111.429	H3	C7	C9	123.554
H3	C7	C10	127.551	H4	C8	C9	123.554
H4	C8	C11	127.551	H5	C10	C7	126.687
H5	C10	C11	124.035	H6	C11	C8	126.687
H6	C11	C10	124.035	C7	C9	C8	103.654
C7	C10	C11	109.278	C8	C11	C10	109.278
C9	C7	C10	108.895	C9	C8	C11	108.895

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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