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	hartrees
Energy at 0K	-193.152215
Energy at 298.15K	-193.158336
HF Energy	-192.729773
Nuclear repulsion energy	153.365155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3125	8.50
2	A₁	3208	3089	12.20
3	A₁	3030	2918	14.25
4	A₁	1511	1455	0.08
5	A₁	1466	1412	19.94
6	A₁	1392	1340	7.87
7	A₁	1138	1096	0.53
8	A₁	1004	967	0.53
9	A₁	915	881	12.89
10	A₁	808	778	0.04
11	A₂	1120	1078	0.00
12	A₂	882	849	0.00
13	A₂	671	646	0.00
14	A₂	502	484	0.00
15	B₁	3084	2970	18.60
16	B₁	960	925	20.17
17	B₁	897	864	1.37
18	B₁	646	622	131.07
19	B₁	350	338	7.96
20	B₂	3231	3112	41.87
21	B₂	3197	3079	0.36
22	B₂	1572	1514	0.00
23	B₂	1319	1270	0.86
24	B₂	1282	1235	5.20
25	B₂	1127	1085	1.86
26	B₂	977	941	13.29
27	B₂	817	787	2.34

Atom	x (Å)	y (Å)	z (Å)
H1	0.895	0.000	1.903
H2	-0.895	0.000	1.903
H3	0.000	2.246	0.619
H4	0.000	-2.246	0.619
H5	0.000	1.370	-1.915
H6	0.000	-1.370	-1.915
C7	0.000	1.205	0.290
C8	0.000	-1.205	0.290
C9	0.000	0.000	1.249
C10	0.000	0.750	-1.016
C11	0.000	-0.750	-1.016

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7899	2.7382	2.7382	4.1544	4.1544	2.2034	2.2034	1.1085	3.1444	3.1444
H2	1.7899		2.7382	2.7382	4.1544	4.1544	2.2034	2.2034	1.1085	3.1444	3.1444
H3	2.7382	2.7382		4.4930	2.6809	4.4161	1.0922	3.4670	2.3333	2.2164	3.4136
H4	2.7382	2.7382	4.4930		4.4161	2.6809	3.4670	1.0922	2.3333	3.4136	2.2164
H5	4.1544	4.1544	2.6809	4.4161		2.7409	2.2114	3.3904	3.4482	1.0921	2.3032
H6	4.1544	4.1544	4.4161	2.6809	2.7409		3.3904	2.2114	3.4482	2.3032	1.0921
C7	2.2034	2.2034	1.0922	3.4670	2.2114	3.3904		2.4097	1.5399	1.3833	2.3513
C8	2.2034	2.2034	3.4670	1.0922	3.3904	2.2114	2.4097		1.5399	2.3513	1.3833
C9	1.1085	1.1085	2.3333	2.3333	3.4482	3.4482	1.5399	1.5399		2.3864	2.3864
C10	3.1444	3.1444	2.2164	3.4136	1.0921	2.3032	1.3833	2.3513	2.3864		1.5002
C11	3.1444	3.1444	3.4136	2.2164	2.3032	1.0921	2.3513	1.3833	2.3864	1.5002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	107.674	H1	C9	C7	111.561
H1	C9	C8	111.561	H2	C9	C7	111.561
H2	C9	C8	111.561	H3	C7	C9	123.972
H3	C7	C10	126.702	H4	C8	C9	123.972
H4	C8	C11	126.702	H5	C10	C7	126.194
H5	C10	C11	124.613	H6	C11	C8	126.194
H6	C11	C10	124.613	C7	C9	C8	102.961
C7	C10	C11	109.193	C8	C11	C10	109.193
C9	C7	C10	109.327	C9	C8	C11	109.327

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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