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	hartrees
Energy at 0K	-193.156213
Energy at 298.15K	-193.162334
HF Energy	-192.730543
Nuclear repulsion energy	153.403545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3132	8.35
2	A₁	3207	3096	11.81
3	A₁	3029	2924	13.95
4	A₁	1510	1458	0.08
5	A₁	1466	1415	19.90
6	A₁	1392	1343	7.88
7	A₁	1138	1099	0.53
8	A₁	1004	969	0.52
9	A₁	914	883	12.85
10	A₁	808	780	0.04
11	A₂	1120	1081	0.00
12	A₂	881	850	0.00
13	A₂	670	647	0.00
14	A₂	502	484	0.00
15	B₁	3083	2976	17.89
16	B₁	960	926	20.40
17	B₁	896	865	1.35
18	B₁	646	624	130.54
19	B₁	350	338	7.94
20	B₂	3230	3118	41.09
21	B₂	3196	3085	0.39
22	B₂	1571	1517	0.00
23	B₂	1318	1272	0.87
24	B₂	1281	1237	5.16
25	B₂	1127	1088	1.83
26	B₂	977	943	13.25
27	B₂	816	788	2.35

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		1.7900	2.7377	2.7377	4.1534	4.1534	2.2029	2.2029	1.1084	3.1435	3.1435
H2	1.7900		2.7377	2.7377	4.1534	4.1534	2.2029	2.2029	1.1084	3.1435	3.1435
H3	2.7377	2.7377		4.4921	2.6805	4.4153	1.0921	3.4662	2.3328	2.2159	3.4129
H4	2.7377	2.7377	4.4921		4.4153	2.6805	3.4662	1.0921	2.3328	3.4129	2.2159
H5	4.1534	4.1534	2.6805	4.4153		2.7402	2.2109	3.3896	3.4475	1.0920	2.3027
H6	4.1534	4.1534	4.4153	2.6805	2.7402		3.3896	2.2109	3.4475	2.3027	1.0920
C7	2.2029	2.2029	1.0921	3.4662	2.2109	3.3896		2.4091	1.5396	1.3828	2.3506
C8	2.2029	2.2029	3.4662	1.0921	3.3896	2.2109	2.4091		1.5396	2.3506	1.3828
C9	1.1084	1.1084	2.3328	2.3328	3.4475	3.4475	1.5396	1.5396		2.3857	2.3857
C10	3.1435	3.1435	2.2159	3.4129	1.0920	2.3027	1.3828	2.3506	2.3857		1.4999
C11	3.1435	3.1435	3.4129	2.2159	2.3027	1.0920	2.3506	1.3828	2.3857	1.4999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	107.696	H1	C9	C7	111.556
H1	C9	C8	111.556	H2	C9	C7	111.556
H2	C9	C8	111.556	H3	C7	C9	123.968
H3	C7	C10	126.705	H4	C8	C9	123.968
H4	C8	C11	126.705	H5	C10	C7	126.201
H5	C10	C11	124.606	H6	C11	C8	126.201
H6	C11	C10	124.606	C7	C9	C8	102.958
C7	C10	C11	109.194	C8	C11	C10	109.194
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/SDD

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/SDD

States and conformations

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