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	hartrees
Energy at 0K	-232.627307
Energy at 298.15K
HF Energy	-231.791946
Nuclear repulsion energy	231.377478

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.675	1.207
C2	0.000	-0.675	1.207
C3	0.000	-1.022	-0.282
C4	0.000	1.022	-0.282
C5	1.060	0.000	-0.801
C6	-1.060	0.000	-0.801
H7	0.000	1.374	2.032
H8	0.000	-1.374	2.032
H9	0.000	-2.071	-0.573
H10	0.000	2.071	-0.573
H11	2.037	0.000	-0.316
H12	-2.037	0.000	-0.316
H13	-1.160	0.000	-1.889
H14	1.160	0.000	-1.889

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3506	2.2576	1.5286	2.3689	2.3689	1.0807	2.2088	3.2727	2.2622	2.6317	2.6317	3.3744	3.3744
C2	1.3506		1.5286	2.2576	2.3689	2.3689	2.2088	1.0807	2.2622	3.2727	2.6317	2.6317	3.3744	3.3744
C3	2.2576	1.5286		2.0436	1.5611	1.5611	3.3303	2.3400	1.0886	3.1062	2.2794	2.2794	2.2298	2.2298
C4	1.5286	2.2576	2.0436		1.5611	1.5611	2.3400	3.3303	3.1062	1.0886	2.2794	2.2794	2.2298	2.2298
C5	2.3689	2.3689	1.5611	1.5611		2.1199	3.3218	3.3218	2.3372	2.3372	1.0910	3.1349	2.4719	1.0926
C6	2.3689	2.3689	1.5611	1.5611	2.1199		3.3218	3.3218	2.3372	2.3372	3.1349	1.0910	1.0926	2.4719
H7	1.0807	2.2088	3.3303	2.3400	3.3218	3.3218		2.7478	4.3187	2.6967	3.3984	3.3984	4.3132	4.3132
H8	2.2088	1.0807	2.3400	3.3303	3.3218	3.3218	2.7478		2.6967	4.3187	3.3984	3.3984	4.3132	4.3132
H9	3.2727	2.2622	1.0886	3.1062	2.3372	2.3372	4.3187	2.6967		4.1413	2.9162	2.9162	2.7134	2.7134
H10	2.2622	3.2727	3.1062	1.0886	2.3372	2.3372	2.6967	4.3187	4.1413		2.9162	2.9162	2.7134	2.7134
H11	2.6317	2.6317	2.2794	2.2794	1.0910	3.1349	3.3984	3.3984	2.9162	2.9162		4.0744	3.5628	1.8013
H12	2.6317	2.6317	2.2794	2.2794	3.1349	1.0910	3.3984	3.3984	2.9162	2.9162	4.0744		1.8013	3.5628
H13	3.3744	3.3744	2.2298	2.2298	2.4719	1.0926	4.3132	4.3132	2.7134	2.7134	3.5628	1.8013		2.3192
H14	3.3744	3.3744	2.2298	2.2298	1.0926	2.4719	4.3132	4.3132	2.7134	2.7134	1.8013	3.5628	2.3192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.102	C1	C2	H8	130.274
C1	C4	C5	100.110	C1	C4	C6	100.110
C1	C4	H10	118.648	C2	C1	C4	103.102
C2	C1	H7	130.274	C2	C3	C5	100.110
C2	C3	C6	100.110	C2	C3	H9	118.648
C3	C2	H8	126.623	C3	C5	C4	81.768
C3	C5	H11	117.411	C3	C5	H14	113.148
C3	C6	C4	81.768	C3	C6	H12	117.411
C3	C6	H13	113.148	C4	C1	H7	126.623
C4	C5	H11	117.411	C4	C5	H14	113.148
C4	C6	H12	117.411	C4	C6	H13	113.148
C5	C3	C6	85.524	C5	C3	H9	122.782
C5	C4	C6	85.524	C5	C4	H10	122.782
C6	C3	H9	122.782	C6	C4	H10	122.782
H11	C5	H14	111.160	H12	C6	H13	111.160

All results from a given calculation for C₆H₈ (Bicyclo[2.1.1]hex-2-ene)

using model chemistry: MP2/6-31+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 C6H8 (Bicyclo[2.1.1]hex-2-ene)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[2.1.1]hex-2-ene)