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	hartrees
Energy at 0K	-233.919535
Energy at 298.15K
HF Energy	-233.014913
Nuclear repulsion energy	242.982595

Atom	x (Å)	y (Å)	z (Å)
C1	-0.180	1.450	0.000
C2	-0.930	-1.300	0.000
C3	0.291	0.635	1.234
C4	0.291	0.635	-1.234
C5	0.291	-0.818	0.759
C6	0.291	-0.818	-0.759
H7	-1.118	-2.379	0.000
H8	-1.841	-0.688	0.000
H9	-1.283	1.539	0.000
H10	0.223	2.478	0.000
H11	-0.355	0.804	2.116
H12	-0.355	0.804	-2.116
H13	1.322	0.923	-1.518
H14	1.322	0.923	1.518
H15	0.876	-1.554	1.323
H16	0.876	-1.554	-1.323

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8498	1.5522	1.5522	2.4377	2.4377	3.9425	2.7074	1.1058	1.1044	2.2191	2.2191	2.1998	2.1998	3.4486	3.4486
C2	2.8498		2.5994	2.5994	1.5164	1.5164	1.0961	1.0978	2.8601	3.9495	3.0380	3.0380	3.5093	3.5093	2.2532	2.2532
C3	1.5522	2.5994		2.4680	1.5286	2.4669	3.5493	2.7968	2.1947	2.2190	1.1062	3.4156	2.9525	1.1075	2.2680	3.4169
C4	1.5522	2.5994	2.4680		2.4669	1.5286	3.5493	2.7968	2.1947	2.2190	3.4156	1.1062	1.1075	2.9525	3.4169	2.2680
C5	2.4377	1.5164	1.5286	2.4669		1.5189	2.2365	2.2676	2.9339	3.3831	2.2106	3.3636	3.0462	2.1608	1.0964	2.2852
C6	2.4377	1.5164	2.4669	1.5286	1.5189		2.2365	2.2676	2.9339	3.3831	3.3636	2.2106	2.1608	3.0462	2.2852	1.0964
H7	3.9425	1.0961	3.5493	3.5493	2.2365	2.2365		1.8393	3.9215	5.0391	3.8974	3.8974	4.3780	4.3780	2.5318	2.5318
H8	2.7074	1.0978	2.7968	2.7968	2.2676	2.2676	1.8393		2.2958	3.7796	2.9849	2.9849	3.8612	3.8612	3.1442	3.1442
H9	1.1058	2.8601	2.1947	2.1947	2.9339	2.9339	3.9215	2.2958		1.7744	2.4242	2.4242	3.0771	3.0771	3.9972	3.9972
H10	1.1044	3.9495	2.2190	2.2190	3.3831	3.3831	5.0391	3.7796	1.7744		2.7593	2.7593	2.4352	2.4352	4.2940	4.2940
H11	2.2191	3.0380	1.1062	3.4156	2.2106	3.3636	3.8974	2.9849	2.4242	2.7593		4.2313	4.0036	1.7851	2.7756	4.3477
H12	2.2191	3.0380	3.4156	1.1062	3.3636	2.2106	3.8974	2.9849	2.4242	2.7593	4.2313		1.7851	4.0036	4.3477	2.7756
H13	2.1998	3.5093	2.9525	1.1075	3.0462	2.1608	4.3780	3.8612	3.0771	2.4352	4.0036	1.7851		3.0351	3.7956	2.5248
H14	2.1998	3.5093	1.1075	2.9525	2.1608	3.0462	4.3780	3.8612	3.0771	2.4352	1.7851	4.0036	3.0351		2.5248	3.7956
H15	3.4486	2.2532	2.2680	3.4169	1.0964	2.2852	2.5318	3.1442	3.9972	4.2940	2.7756	4.3477	3.7956	2.5248		2.6465
H16	3.4486	2.2532	3.4169	2.2680	2.2852	1.0964	2.5318	3.1442	3.9972	4.2940	4.3477	2.7756	2.5248	3.7956	2.6465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.606	C1	C3	H11	112.091
C1	C3	H14	110.489	C1	C4	C6	104.606
C1	C4	H12	112.091	C1	C4	H13	110.489
C2	C5	C3	117.220	C2	C5	C6	59.946
C2	C5	H15	118.274	C2	C6	C4	117.220
C2	C6	C5	59.946	C2	C6	H16	118.274
C3	C1	C4	105.317	C3	C1	H9	110.187
C3	C1	H10	112.195	C3	C5	C6	108.086
C3	C5	H15	118.605	C4	C1	H9	110.187
C4	C1	H10	112.195	C4	C6	C5	108.086
C4	C6	H16	118.605	C5	C2	C6	60.108
C5	C2	H7	116.841	C5	C2	H8	119.458
C5	C3	H11	113.090	C5	C3	H14	109.066
C5	C6	H16	120.947	C6	C2	H7	116.841
C6	C2	H8	119.458	C6	C4	H12	113.090
C6	C4	H13	109.066	C6	C5	H15	120.947
H7	C2	H8	113.934	H9	C1	H10	106.806
H11	C3	H14	107.489	H12	C4	H13	107.489

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

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

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