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	hartrees
Energy at 0K	-39.448020
Energy at 298.15K
HF Energy	-38.713315
Nuclear repulsion energy	131.389195

Atom	x (Å)	y (Å)	z (Å)
C1	-0.185	1.456	0.000
C2	-0.937	-1.305	0.000
C3	0.294	0.639	1.238
C4	0.294	0.639	-1.238
C5	0.294	-0.821	0.764
C6	0.294	-0.821	-0.764
H7	-1.118	-2.388	0.000
H8	-1.852	-0.699	0.000
H9	-1.286	1.543	0.000
H10	0.222	2.483	0.000
H11	-0.355	0.801	2.120
H12	-0.355	0.801	-2.120
H13	1.325	0.927	-1.519
H14	1.325	0.927	1.519
H15	0.886	-1.557	1.323
H16	0.886	-1.557	-1.323

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8619	1.5594	1.5594	2.4486	2.4486	3.9560	2.7246	1.1043	1.1052	2.2258	2.2258	2.2070	2.2070	3.4607	3.4607
C2	2.8619		2.6131	2.6131	1.5278	1.5278	1.0980	1.0977	2.8701	3.9621	3.0446	3.0446	3.5226	3.5226	2.2663	2.2663
C3	1.5594	2.6131		2.4769	1.5344	2.4772	3.5624	2.8160	2.2022	2.2231	1.1068	3.4247	2.9584	1.1070	2.2756	3.4251
C4	1.5594	2.6131	2.4769		2.4772	1.5344	3.5624	2.8160	2.2022	2.2231	3.4247	1.1068	1.1070	2.9584	3.4251	2.2756
C5	2.4486	1.5278	1.5344	2.4772		1.5271	2.2441	2.2814	2.9442	3.3917	2.2113	3.3713	3.0540	2.1649	1.0980	2.2903
C6	2.4486	1.5278	2.4772	1.5344	1.5271		2.2441	2.2814	2.9442	3.3917	3.3713	2.2113	2.1649	3.0540	2.2903	1.0980
H7	3.9560	1.0980	3.5624	3.5624	2.2441	2.2441		1.8417	3.9353	5.0527	3.9048	3.9048	4.3896	4.3896	2.5410	2.5410
H8	2.7246	1.0977	2.8160	2.8160	2.2814	2.2814	1.8417		2.3129	3.7989	2.9979	2.9979	3.8792	3.8792	3.1595	3.1595
H9	1.1043	2.8701	2.2022	2.2022	2.9442	2.9442	3.9353	2.3129		1.7773	2.4321	2.4321	3.0837	3.0837	4.0101	4.0101
H10	1.1052	3.9621	2.2231	2.2231	3.3917	3.3917	5.0527	3.7989	1.7773		2.7677	2.7677	2.4390	2.4390	4.3030	4.3030
H11	2.2258	3.0446	1.1068	3.4247	2.2113	3.3713	3.9048	2.9979	2.4321	2.7677		4.2406	4.0107	1.7888	2.7810	4.3535
H12	2.2258	3.0446	3.4247	1.1068	3.3713	2.2113	3.9048	2.9979	2.4321	2.7677	4.2406		1.7888	4.0107	4.3535	2.7810
H13	2.2070	3.5226	2.9584	1.1070	3.0540	2.1649	4.3896	3.8792	3.0837	2.4390	4.0107	1.7888		3.0387	3.8000	2.5300
H14	2.2070	3.5226	1.1070	2.9584	2.1649	3.0540	4.3896	3.8792	3.0837	2.4390	1.7888	4.0107	3.0387		2.5300	3.8000
H15	3.4607	2.2663	2.2756	3.4251	1.0980	2.2903	2.5410	3.1595	4.0101	4.3030	2.7810	4.3535	3.8000	2.5300		2.6456
H16	3.4607	2.2663	3.4251	2.2756	2.2903	1.0980	2.5410	3.1595	4.0101	4.3030	4.3535	2.7810	2.5300	3.8000	2.6456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.636	C1	C3	H11	112.076
C1	C3	H14	110.579	C1	C4	C6	104.636
C1	C4	H12	112.076	C1	C4	H13	110.579
C2	C5	C3	117.157	C2	C5	C6	60.016
C2	C5	H15	118.415	C2	C6	C4	117.157
C2	C6	C5	60.016	C2	C6	H16	118.415
C3	C1	C4	105.153	C3	C1	H9	110.360
C3	C1	H10	111.958	C3	C5	C6	108.030
C3	C5	H15	118.711	C4	C1	H9	110.360
C4	C1	H10	111.958	C4	C6	C5	108.030
C4	C6	H16	118.711	C5	C2	C6	59.968
C5	C2	H7	116.485	C5	C2	H8	119.775
C5	C3	H11	112.696	C5	C3	H14	109.020
C5	C6	H16	120.624	C6	C2	H7	116.485
C6	C2	H8	119.775	C6	C4	H12	112.696
C6	C4	H13	109.020	C6	C5	H15	120.624
H7	C2	H8	114.028	H9	C1	H10	107.101
H11	C3	H14	107.813	H12	C4	H13	107.813

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

using model chemistry: MP2/CEP-31G*

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: MP2/CEP-31G*

States and conformations

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