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	hartrees
Energy at 0K	-233.992794
Energy at 298.15K
HF Energy	-233.053243
Nuclear repulsion energy	244.011064

Atom	x (Å)	y (Å)	z (Å)
C1	-0.187	1.444	0.000
C2	-0.925	-1.294	0.000
C3	0.292	0.634	1.230
C4	0.292	0.634	-1.230
C5	0.292	-0.815	0.756
C6	0.292	-0.815	-0.756
H7	-1.113	-2.364	0.000
H8	-1.827	-0.687	0.000
H9	-1.280	1.517	0.000
H10	0.204	2.467	0.000
H11	-0.347	0.797	2.106
H12	-0.347	0.797	-2.106
H13	1.315	0.921	-1.504
H14	1.315	0.921	1.504
H15	0.873	-1.545	1.312
H16	0.873	-1.545	-1.312

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8358	1.5483	1.5483	2.4297	2.4297	3.9190	2.6888	1.0958	1.0949	2.2091	2.2091	2.1894	2.1894	3.4321	3.4321
C2	2.8358		2.5902	2.5902	1.5104	1.5104	1.0864	1.0875	2.8336	3.9266	3.0241	3.0241	3.4911	3.4911	2.2401	2.2401
C3	1.5483	2.5902		2.4592	1.5242	2.4581	3.5317	2.7829	2.1824	2.2089	1.0968	3.4003	2.9334	1.0981	2.2566	3.3979
C4	1.5483	2.5902	2.4592		2.4581	1.5242	3.5317	2.7829	2.1824	2.2089	3.4003	1.0968	1.0981	2.9334	3.3979	2.2566
C5	2.4297	1.5104	1.5242	2.4581		1.5123	2.2236	2.2532	2.9122	3.3689	2.1978	3.3468	3.0284	2.1496	1.0864	2.2691
C6	2.4297	1.5104	2.4581	1.5242	1.5123		2.2236	2.2532	2.9122	3.3689	3.3468	2.1978	2.1496	3.0284	2.2691	1.0864
H7	3.9190	1.0864	3.5317	3.5317	2.2236	2.2236		1.8231	3.8849	5.0071	3.8754	3.8754	4.3532	4.3532	2.5174	2.5174
H8	2.6888	1.0875	2.7829	2.7829	2.2532	2.2532	1.8231		2.2707	3.7508	2.9716	2.9716	3.8369	3.8369	3.1224	3.1224
H9	1.0958	2.8336	2.1824	2.1824	2.9122	2.9122	3.8849	2.2707		1.7618	2.4137	2.4137	3.0587	3.0587	3.9668	3.9668
H10	1.0949	3.9266	2.2089	2.2089	3.3689	3.3689	5.0071	3.7508	1.7618		2.7434	2.7434	2.4267	2.4267	4.2736	4.2736
H11	2.2091	3.0241	1.0968	3.4003	2.1978	3.3468	3.8754	2.9716	2.4137	2.7434		4.2126	3.9768	1.7720	2.7578	4.3198
H12	2.2091	3.0241	3.4003	1.0968	3.3468	2.1978	3.8754	2.9716	2.4137	2.7434	4.2126		1.7720	3.9768	4.3198	2.7578
H13	2.1894	3.4911	2.9334	1.0981	3.0284	2.1496	4.3532	3.8369	3.0587	2.4267	3.9768	1.7720		3.0088	3.7694	2.5125
H14	2.1894	3.4911	1.0981	2.9334	2.1496	3.0284	4.3532	3.8369	3.0587	2.4267	1.7720	3.9768	3.0088		2.5125	3.7694
H15	3.4321	2.2401	2.2566	3.3979	1.0864	2.2691	2.5174	3.1224	3.9668	4.2736	2.7578	4.3198	3.7694	2.5125		2.6244
H16	3.4321	2.2401	3.3979	2.2566	2.2691	1.0864	2.5174	3.1224	3.9668	4.2736	4.3198	2.7578	2.5125	3.7694	2.6244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.517	C1	C3	H11	112.141
C1	C3	H14	110.498	C1	C4	C6	104.517
C1	C4	H12	112.141	C1	C4	H13	110.498
C2	C5	C3	117.197	C2	C5	C6	59.959
C2	C5	H15	118.308	C2	C6	C4	117.197
C2	C6	C5	59.959	C2	C6	H16	118.308
C3	C1	C4	105.154	C3	C1	H9	110.081
C3	C1	H10	112.242	C3	C5	C6	108.096
C3	C5	H15	118.668	C4	C1	H9	110.081
C4	C1	H10	112.242	C4	C6	C5	108.096
C4	C6	H16	118.668	C5	C2	C6	60.082
C5	C2	H7	116.860	C5	C2	H8	119.401
C5	C3	H11	112.957	C5	C3	H14	109.034
C5	C6	H16	120.785	C6	C2	H7	116.860
C6	C2	H8	119.401	C6	C4	H12	112.957
C6	C4	H13	109.034	C6	C5	H15	120.785
H7	C2	H8	113.990	H9	C1	H10	107.071
H11	C3	H14	107.674	H12	C4	H13	107.674

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)

using model chemistry: CCD/6-311G**

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 C6H10 (Bicyclo[3.1.0]hexane)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)