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	hartrees
Energy at 0K	-193.492244
Energy at 298.15K	-193.498381
HF Energy	-192.824392
Nuclear repulsion energy	156.334773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3099	3.84
2	A₁	3237	3076	8.97
3	A₁	3067	2915	5.76
4	A₁	1544	1467	0.62
5	A₁	1446	1374	13.30
6	A₁	1416	1346	13.72
7	A₁	1137	1080	0.30
8	A₁	1037	986	0.11
9	A₁	950	903	11.21
10	A₁	810	770	0.01
11	A₂	1138	1082	0.00
12	A₂	874	830	0.00
13	A₂	684	650	0.00
14	A₂	501	476	0.00
15	B₁	3112	2957	6.11
16	B₁	920	874	27.67
17	B₁	903	859	0.00
18	B₁	669	636	91.70
19	B₁	321	305	9.38
20	B₂	3254	3092	20.86
21	B₂	3228	3068	2.19
22	B₂	1620	1540	0.71
23	B₂	1327	1261	2.25
24	B₂	1282	1218	1.95
25	B₂	1119	1063	1.90
26	B₂	997	947	12.36
27	B₂	814	773	4.72

Atom	x (Å)	y (Å)	z (Å)
H1	0.880	0.000	1.876
H2	-0.880	0.000	1.876
H3	0.000	2.214	0.614
H4	0.000	-2.214	0.614
H5	0.000	1.351	-1.888
H6	0.000	-1.351	-1.888
C7	0.000	1.180	0.286
C8	0.000	-1.180	0.286
C9	0.000	0.000	1.217
C10	0.000	0.735	-0.995
C11	0.000	-0.735	-0.995

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7592	2.6954	2.6954	4.0943	4.0943	2.1665	2.1665	1.0986	3.0906	3.0906
H2	1.7592		2.6954	2.6954	4.0943	4.0943	2.1665	2.1665	1.0986	3.0906	3.0906
H3	2.6954	2.6954		4.4273	2.6467	4.3552	1.0845	3.4096	2.2944	2.1854	3.3588
H4	2.6954	2.6954	4.4273		4.3552	2.6467	3.4096	1.0845	2.2944	3.3588	2.1854
H5	4.0943	4.0943	2.6467	4.3552		2.7020	2.1805	3.3365	3.3865	1.0853	2.2689
H6	4.0943	4.0943	4.3552	2.6467	2.7020		3.3365	2.1805	3.3865	2.2689	1.0853
C7	2.1665	2.1665	1.0845	3.4096	2.1805	3.3365		2.3602	1.5035	1.3558	2.3035
C8	2.1665	2.1665	3.4096	1.0845	3.3365	2.1805	2.3602		1.5035	2.3035	1.3558
C9	1.0986	1.0986	2.2944	2.2944	3.3865	3.3865	1.5035	1.5035		2.3309	2.3309
C10	3.0906	3.0906	2.1854	3.3588	1.0853	2.2689	1.3558	2.3035	2.3309		1.4694
C11	3.0906	3.0906	3.3588	2.1854	2.2689	1.0853	2.3035	1.3558	2.3309	1.4694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.385	H1	C9	C7	111.791
H1	C9	C8	111.791	H2	C9	C7	111.791
H2	C9	C8	111.791	H3	C7	C9	124.088
H3	C7	C10	126.805	H4	C8	C9	124.088
H4	C8	C11	126.805	H5	C10	C7	126.216
H5	C10	C11	124.604	H6	C11	C8	126.216
H6	C11	C10	124.604	C7	C9	C8	103.426
C7	C10	C11	109.180	C8	C11	C10	109.180
C9	C7	C10	109.107	C9	C8	C11	109.107

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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