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	hartrees
Energy at 0K	-233.920348
Energy at 298.15K
HF Energy	-233.014877
Nuclear repulsion energy	242.961517

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	0.760
C6	0.291	-0.818	-0.760
H7	-1.119	-2.380	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	1.323	0.923	-1.518
H14	1.323	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		2.8499	1.5523	1.5523	2.4379	2.4379	3.9427	2.7075	1.1059	1.1044	2.2192	2.2192	2.1999	2.1999	3.4488	3.4488
C2	2.8499		2.5996	2.5996	1.5166	1.5166	1.0962	1.0979	2.8602	3.9497	3.0382	3.0382	3.5096	3.5096	2.2534	2.2534
C3	1.5523	2.5996		2.4682	1.5287	2.4670	3.5495	2.7970	2.1948	2.2191	1.1063	3.4159	2.9527	1.1075	2.2681	3.4172
C4	1.5523	2.5996	2.4682		2.4670	1.5287	3.5495	2.7970	2.1948	2.2191	3.4159	1.1063	1.1075	2.9527	3.4172	2.2681
C5	2.4379	1.5166	1.5287	2.4670		1.5191	2.2367	2.2678	2.9341	3.3833	2.2107	3.3638	3.0464	2.1610	1.0965	2.2854
C6	2.4379	1.5166	2.4670	1.5287	1.5191		2.2367	2.2678	2.9341	3.3833	3.3638	2.2107	2.1610	3.0464	2.2854	1.0965
H7	3.9427	1.0962	3.5495	3.5495	2.2367	2.2367		1.8394	3.9216	5.0394	3.8976	3.8976	4.3783	4.3783	2.5321	2.5321
H8	2.7075	1.0979	2.7970	2.7970	2.2678	2.2678	1.8394		2.2958	3.7797	2.9851	2.9851	3.8615	3.8615	3.1445	3.1445
H9	1.1059	2.8602	2.1948	2.1948	2.9341	2.9341	3.9216	2.2958		1.7745	2.4243	2.4243	3.0773	3.0773	3.9975	3.9975
H10	1.1044	3.9497	2.2191	2.2191	3.3833	3.3833	5.0394	3.7797	1.7745		2.7595	2.7595	2.4354	2.4354	4.2942	4.2942
H11	2.2192	3.0382	1.1063	3.4159	2.2107	3.3638	3.8976	2.9851	2.4243	2.7595		4.2316	4.0039	1.7852	2.7757	4.3480
H12	2.2192	3.0382	3.4159	1.1063	3.3638	2.2107	3.8976	2.9851	2.4243	2.7595	4.2316		1.7852	4.0039	4.3480	2.7757
H13	2.1999	3.5096	2.9527	1.1075	3.0464	2.1610	4.3783	3.8615	3.0773	2.4354	4.0039	1.7852		3.0353	3.7960	2.5249
H14	2.1999	3.5096	1.1075	2.9527	2.1610	3.0464	4.3783	3.8615	3.0773	2.4354	1.7852	4.0039	3.0353		2.5249	3.7960
H15	3.4488	2.2534	2.2681	3.4172	1.0965	2.2854	2.5321	3.1445	3.9975	4.2942	2.7757	4.3480	3.7960	2.5249		2.6468
H16	3.4488	2.2534	3.4172	2.2681	2.2854	1.0965	2.5321	3.1445	3.9975	4.2942	4.3480	2.7757	2.5249	3.7960	2.6468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.605	C1	C3	H11	112.090
C1	C3	H14	110.491	C1	C4	C6	104.605
C1	C4	H12	112.090	C1	C4	H13	110.491
C2	C5	C3	117.219	C2	C5	C6	59.945
C2	C5	H15	118.276	C2	C6	C4	117.219
C2	C6	C5	59.945	C2	C6	H16	118.276
C3	C1	C4	105.318	C3	C1	H9	110.188
C3	C1	H10	112.194	C3	C5	C6	108.086
C3	C5	H15	118.605	C4	C1	H9	110.188
C4	C1	H10	112.194	C4	C6	C5	108.086
C4	C6	H16	118.605	C5	C2	C6	60.109
C5	C2	H7	116.843	C5	C2	H8	119.458
C5	C3	H11	113.089	C5	C3	H14	109.068
C5	C6	H16	120.948	C6	C2	H7	116.843
C6	C2	H8	119.458	C6	C4	H12	113.089
C6	C4	H13	109.068	C6	C5	H15	120.948
H7	C2	H8	113.931	H9	C1	H10	106.804
H11	C3	H14	107.488	H12	C4	H13	107.488

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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