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	hartrees
Energy at 0K	-193.508446
Energy at 298.15K
HF Energy	-192.801556
Nuclear repulsion energy	156.615436

Atom	x (Å)	y (Å)	z (Å)
H1	0.878	0.000	1.863
H2	-0.878	0.000	1.863
H3	0.000	2.206	0.617
H4	0.000	-2.206	0.617
H5	0.000	1.339	-1.882
H6	0.000	-1.339	-1.882
C7	0.000	1.183	0.281
C8	0.000	-1.183	0.281
C9	0.000	0.000	1.214
C10	0.000	0.737	-0.988
C11	0.000	-0.737	-0.988

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7561	2.6814	2.6814	4.0730	4.0730	2.1617	2.1617	1.0919	3.0728	3.0728
H2	1.7561		2.6814	2.6814	4.0730	4.0730	2.1617	2.1617	1.0919	3.0728	3.0728
H3	2.6814	2.6814		4.4121	2.6449	4.3376	1.0773	3.4052	2.2854	2.1756	3.3524
H4	2.6814	2.6814	4.4121		4.3376	2.6449	3.4052	1.0773	2.2854	3.3524	2.1756
H5	4.0730	4.0730	2.6449	4.3376		2.6788	2.1683	3.3222	3.3732	1.0779	2.2609
H6	4.0730	4.0730	4.3376	2.6449	2.6788		3.3222	2.1683	3.3732	2.2609	1.0779
C7	2.1617	2.1617	1.0773	3.4052	2.1683	3.3222		2.3650	1.5064	1.3445	2.3011
C8	2.1617	2.1617	3.4052	1.0773	3.3222	2.1683	2.3650		1.5064	2.3011	1.3445
C9	1.0919	1.0919	2.2854	2.2854	3.3732	3.3732	1.5064	1.5064		2.3220	2.3220
C10	3.0728	3.0728	2.1756	3.3524	1.0779	2.2609	1.3445	2.3011	2.3220		1.4745
C11	3.0728	3.0728	3.3524	2.1756	2.2609	1.0779	2.3011	1.3445	2.3220	1.4745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	107.059	H1	C9	C7	111.607
H1	C9	C8	111.607	H2	C9	C7	111.607
H2	C9	C8	111.607	H3	C7	C9	123.530
H3	C7	C10	127.530	H4	C8	C9	123.530
H4	C8	C11	127.530	H5	C10	C7	126.697
H5	C10	C11	123.963	H6	C11	C8	126.697
H6	C11	C10	123.963	C7	C9	C8	103.439
C7	C10	C11	109.340	C8	C11	C10	109.340
C9	C7	C10	108.940	C9	C8	C11	108.940

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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