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	hartrees
Energy at 0K	-233.915298
Energy at 298.15K
HF Energy	-233.015045
Nuclear repulsion energy	243.051347

Atom	x (Å)	y (Å)	z (Å)
C1	-0.180	1.450	0.000
C2	-0.929	-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	-1.117	-2.379	0.000
H8	-1.841	-0.688	0.000
H9	-1.282	1.539	0.000
H10	0.223	2.478	0.000
H11	-0.355	0.803	2.115
H12	-0.355	0.803	-2.115
H13	1.322	0.923	-1.517
H14	1.322	0.923	1.517
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		2.8494	1.5518	1.5518	2.4374	2.4374	3.9419	2.7072	1.1055	1.1040	2.2186	2.2186	2.1992	2.1992	3.4479	3.4479
C2	2.8494		2.5987	2.5987	1.5157	1.5157	1.0959	1.0975	2.8602	3.9489	3.0373	3.0373	3.5083	3.5083	2.2522	2.2522
C3	1.5518	2.5987		2.4674	1.5284	2.4662	3.5484	2.7962	2.1942	2.2185	1.1059	3.4148	2.9518	1.1071	2.2676	3.4159
C4	1.5518	2.5987	2.4674		2.4662	1.5284	3.5484	2.7962	2.1942	2.2185	3.4148	1.1059	1.1071	2.9518	3.4159	2.2676
C5	2.4374	1.5157	1.5284	2.4662		1.5181	2.2356	2.2667	2.9335	3.3824	2.2102	3.3626	3.0453	2.1604	1.0962	2.2841
C6	2.4374	1.5157	2.4662	1.5284	1.5181		2.2356	2.2667	2.9335	3.3824	3.3626	2.2102	2.1604	3.0453	2.2841	1.0962
H7	3.9419	1.0959	3.5484	3.5484	2.2356	2.2356		1.8389	3.9213	5.0382	3.8965	3.8965	4.3766	4.3766	2.5305	2.5305
H8	2.7072	1.0975	2.7962	2.7962	2.2667	2.2667	1.8389		2.2962	3.7791	2.9843	2.9843	3.8601	3.8601	3.1431	3.1431
H9	1.1055	2.8602	2.1942	2.1942	2.9335	2.9335	3.9213	2.2962		1.7738	2.4236	2.4236	3.0762	3.0762	3.9966	3.9966
H10	1.1040	3.9489	2.2185	2.2185	3.3824	3.3824	5.0382	3.7791	1.7738		2.7588	2.7588	2.4347	2.4347	4.2931	4.2931
H11	2.2186	3.0373	1.1059	3.4148	2.2102	3.3626	3.8965	2.9843	2.4236	2.7588		4.2302	4.0026	1.7845	2.7751	4.3464
H12	2.2186	3.0373	3.4148	1.1059	3.3626	2.2102	3.8965	2.9843	2.4236	2.7588	4.2302		1.7845	4.0026	4.3464	2.7751
H13	2.1992	3.5083	2.9518	1.1071	3.0453	2.1604	4.3766	3.8601	3.0762	2.4347	4.0026	1.7845		3.0345	3.7945	2.5242
H14	2.1992	3.5083	1.1071	2.9518	2.1604	3.0453	4.3766	3.8601	3.0762	2.4347	1.7845	4.0026	3.0345		2.5242	3.7945
H15	3.4479	2.2522	2.2676	3.4159	1.0962	2.2841	2.5305	3.1431	3.9966	4.2931	2.7751	4.3464	3.7945	2.5242		2.6451
H16	3.4479	2.2522	3.4159	2.2676	2.2841	1.0962	2.5305	3.1431	3.9966	4.2931	4.3464	2.7751	2.5242	3.7945	2.6451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.609	C1	C3	H11	112.094
C1	C3	H14	110.486	C1	C4	C6	104.609
C1	C4	H12	112.094	C1	C4	H13	110.486
C2	C5	C3	117.231	C2	C5	C6	59.947
C2	C5	H15	118.263	C2	C6	C4	117.231
C2	C6	C5	59.947	C2	C6	H16	118.263
C3	C1	C4	105.310	C3	C1	H9	110.188
C3	C1	H10	112.202	C3	C5	C6	108.092
C3	C5	H15	118.609	C4	C1	H9	110.188
C4	C1	H10	112.202	C4	C6	C5	108.092
C4	C6	H16	118.609	C5	C2	C6	60.107
C5	C2	H7	116.835	C5	C2	H8	119.460
C5	C3	H11	113.095	C5	C3	H14	109.063
C5	C6	H16	120.936	C6	C2	H7	116.835
C6	C2	H8	119.460	C6	C4	H12	113.095
C6	C4	H13	109.063	C6	C5	H15	120.936
H7	C2	H8	113.939	H9	C1	H10	106.797
H11	C3	H14	107.484	H12	C4	H13	107.484

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

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

States and conformations

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