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	hartrees
Energy at 0K	-232.688565
Energy at 298.15K
HF Energy	-231.823629
Nuclear repulsion energy	226.241773

Atom	x (Å)	y (Å)	z (Å)
C1	0.658	-0.758	-0.407
C2	-0.772	-1.159	-0.032
C3	0.707	0.758	-0.426
C4	1.457	-0.017	0.626
C5	-1.474	0.162	0.204
C6	-0.674	1.203	-0.049
H7	1.176	-1.355	-1.140
H8	-1.252	-1.737	-0.825
H9	-0.791	-1.785	0.863
H10	1.254	1.321	-1.168
H11	1.102	0.019	1.648
H12	2.535	-0.063	0.558
H13	-2.501	0.219	0.535
H14	-0.943	2.244	0.038

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5318	1.5169	1.5008	2.4014	2.3971	1.0785	2.1874	2.1838	2.2928	2.2406	2.2218	3.4380	3.4311
C2	1.5318		2.4533	2.5891	1.5146	2.3642	2.2498	1.0924	1.0927	3.3981	2.7781	3.5334	2.2825	3.4083
C3	1.5169	2.4533		1.5066	2.3478	1.4988	2.2793	3.1974	3.2214	1.0801	2.2371	2.2332	3.3920	2.2683
C4	1.5008	2.5891	1.5066		2.9669	2.5459	2.2335	3.5217	2.8698	2.2473	1.0824	1.0817	3.9657	3.3488
C5	2.4014	1.5146	2.3478	2.9669		1.3378	3.3366	2.1703	2.1666	3.2668	2.9568	4.0318	1.0799	2.1557
C6	2.3971	2.3642	1.4988	2.5459	1.3378		3.3400	3.0948	3.1269	2.2321	2.7264	3.5028	2.1560	1.0789
H7	1.0785	2.2498	2.2793	2.2335	3.3366	3.3400		2.4789	2.8407	2.6774	3.1090	2.5299	4.3363	4.3396
H8	2.1874	1.0924	3.1974	3.5217	2.1703	3.0948	2.4789		1.7507	3.9689	3.8389	4.3658	2.6888	4.0851
H9	2.1838	1.0927	3.2214	2.8698	2.1666	3.1269	2.8407	1.7507		4.2380	2.7298	3.7578	2.6552	4.1160
H10	2.2928	3.3981	1.0801	2.2473	3.2668	2.2321	2.6774	3.9689	4.2380		3.1063	2.5573	4.2679	2.6708
H11	2.2406	2.7781	2.2371	1.0824	2.9568	2.7264	3.1090	3.8389	2.7298	3.1063		1.8024	3.7759	3.4237
H12	2.2218	3.5334	2.2332	1.0817	4.0318	3.5028	2.5299	4.3658	3.7578	2.5573	1.8024		5.0441	4.2061
H13	3.4380	2.2825	3.3920	3.9657	1.0799	2.1560	4.3363	2.6888	2.6552	4.2679	3.7759	5.0441		2.6032
H14	3.4311	3.4083	2.2683	3.3488	2.1557	1.0789	4.3396	4.0851	4.1160	2.6708	3.4237	4.2061	2.6032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	104.048	C1	C2	H8	111.834
C1	C2	H9	111.527	C1	C3	C4	59.521
C1	C3	C6	105.288	C1	C3	H10	123.102
C1	C4	C3	60.579	C1	C4	H11	119.421
C1	C4	H12	117.792	C2	C1	C3	107.161
C2	C1	C4	117.235	C2	C1	H7	118.014
C2	C5	C6	111.812	C2	C5	H13	122.330
C3	C1	C4	59.900	C3	C1	H7	121.943
C3	C4	H11	118.635	C3	C4	H12	118.344
C3	C6	C5	111.600	C3	C6	H14	122.442
C4	C1	H7	119.070	C4	C3	C6	115.800
C4	C3	H10	119.724	C5	C2	H8	111.687
C5	C2	H9	111.374	C5	C6	H14	125.911
C6	C3	H10	119.000	C6	C5	H13	125.857
H8	C2	H9	106.488	H11	C4	H12	112.792

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)

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 C6H8 (Bicyclo[3.1.0]hex-2-ene)

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

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)