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	hartrees
Energy at 0K	-231.482312
Energy at 298.15K
HF Energy	-230.654247
Nuclear repulsion energy	200.690892

Atom	y (Å)	z (Å)
C1	0.000	0.765
C2	0.000	2.108
C3	1.180	-0.129
C4	-1.180	-0.129
C5	0.741	-1.407
C6	-0.741	-1.407
H7	0.921	2.674
H8	-0.921	2.674
H9	2.201	0.217
H10	-2.201	0.217
H11	1.349	-2.297
H12	-1.349	-2.297

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3426	1.4799	1.4799	2.2946	2.2946	2.1195	2.1195	2.2682	2.2682	3.3465	3.3465
C2	1.3426		2.5282	2.5282	3.5915	3.5915	1.0810	1.0810	2.9017	2.9017	4.6070	4.6070
C3	1.4799	2.5282		2.3592	1.3512	2.3070	2.8147	3.5023	1.0781	3.3982	2.1754	3.3316
C4	1.4799	2.5282	2.3592		2.3070	1.3512	3.5023	2.8147	3.3982	1.0781	3.3316	2.1754
C5	2.2946	3.5915	1.3512	2.3070		1.4820	4.0847	4.4061	2.1833	3.3601	1.0787	2.2722
C6	2.2946	3.5915	2.3070	1.3512	1.4820		4.4061	4.0847	3.3601	2.1833	2.2722	1.0787
H7	2.1195	1.0810	2.8147	3.5023	4.0847	4.4061		1.8412	2.7710	3.9728	4.9900	5.4652
H8	2.1195	1.0810	3.5023	2.8147	4.4061	4.0847	1.8412		3.9728	2.7710	5.4652	4.9900
H9	2.2682	2.9017	1.0781	3.3982	2.1833	3.3601	2.7710	3.9728		4.4019	2.6544	4.3503
H10	2.2682	2.9017	3.3982	1.0781	3.3601	2.1833	3.9728	2.7710	4.4019		4.3503	2.6544
H11	3.3465	4.6070	2.1754	3.3316	1.0787	2.2722	4.9900	5.4652	2.6544	4.3503		2.6987
H12	3.3465	4.6070	3.3316	2.1754	2.2722	1.0787	5.4652	4.9900	4.3503	2.6544	2.6987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.610	C1	C2	H8	121.610
C1	C3	C5	108.203	C1	C3	H9	124.177
C1	C4	C6	108.203	C1	C4	H10	124.177
C2	C1	C3	127.145	C2	C1	C4	127.145
C3	C1	C4	105.711	C3	C5	C6	108.942
C3	C5	H11	126.726	C4	C6	C5	108.942
C4	C6	H12	126.726	C5	C3	H9	127.621
C5	C6	H12	124.332	C6	C4	H10	127.621
C6	C5	H11	124.332	H7	C2	H8	116.780

All results from a given calculation for C₆H₆ (Fulvene)

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 C6H6 (Fulvene)

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

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)