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	hartrees
Energy at 0K	-233.924934
Energy at 298.15K
HF Energy	-233.019053
Nuclear repulsion energy	244.478844

Atom	x (Å)	y (Å)	z (Å)
C1	-0.183	1.442	0.000
C2	-0.923	-1.295	0.000
C3	0.290	0.633	1.228
C4	0.290	0.633	-1.228
C5	0.290	-0.813	0.755
C6	0.290	-0.813	-0.755
H7	-1.110	-2.361	0.000
H8	-1.824	-0.693	0.000
H9	-1.272	1.522	0.000
H10	0.209	2.460	0.000
H11	-0.347	0.798	2.100
H12	-0.347	0.798	-2.100
H13	1.310	0.918	-1.504
H14	1.310	0.918	1.504
H15	0.870	-1.540	1.310
H16	0.870	-1.540	-1.310

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8353	1.5449	1.5449	2.4254	2.4254	3.9147	2.6926	1.0919	1.0910	2.2030	2.2030	2.1832	2.1832	3.4236	3.4236
C2	2.8353		2.5872	2.5872	1.5074	1.5074	1.0825	1.0838	2.8388	3.9220	3.0205	3.0205	3.4842	3.4842	2.2340	2.2340
C3	1.5449	2.5872		2.4553	1.5216	2.4539	3.5256	2.7807	2.1770	2.2031	1.0929	3.3924	2.9297	1.0940	2.2505	3.3907
C4	1.5449	2.5872	2.4553		2.4539	1.5216	3.5256	2.7807	2.1770	2.2031	3.3924	1.0929	1.0940	2.9297	3.3907	2.2505
C5	2.4254	1.5074	1.5216	2.4539		1.5095	2.2191	2.2479	2.9097	3.3606	2.1939	3.3398	3.0229	2.1441	1.0829	2.2643
C6	2.4254	1.5074	2.4539	1.5216	1.5095		2.2191	2.2479	2.9097	3.3606	3.3398	2.1939	2.1441	3.0229	2.2643	1.0829
H7	3.9147	1.0825	3.5256	3.5256	2.2191	2.2191		1.8147	3.8868	4.9985	3.8696	3.8696	4.3434	4.3434	2.5121	2.5121
H8	2.6926	1.0838	2.7807	2.7807	2.2479	2.2479	1.8147		2.2827	3.7516	2.9691	2.9691	3.8305	3.8305	3.1132	3.1132
H9	1.0919	2.8388	2.1770	2.1770	2.9097	2.9097	3.8868	2.2827		1.7534	2.4068	2.4068	3.0485	3.0485	3.9604	3.9604
H10	1.0910	3.9220	2.2031	2.2031	3.3606	3.3606	4.9985	3.7516	1.7534		2.7356	2.7356	2.4194	2.4194	4.2610	4.2610
H11	2.2030	3.0205	1.0929	3.3924	2.1939	3.3398	3.8696	2.9691	2.4068	2.7356		4.2007	3.9686	1.7643	2.7519	4.3102
H12	2.2030	3.0205	3.3924	1.0929	3.3398	2.1939	3.8696	2.9691	2.4068	2.7356	4.2007		1.7643	3.9686	4.3102	2.7519
H13	2.1832	3.4842	2.9297	1.0940	3.0229	2.1441	4.3434	3.8305	3.0485	2.4194	3.9686	1.7643		3.0083	3.7618	2.5041
H14	2.1832	3.4842	1.0940	2.9297	2.1441	3.0229	4.3434	3.8305	3.0485	2.4194	1.7643	3.9686	3.0083		2.5041	3.7618
H15	3.4236	2.2340	2.2505	3.3907	1.0829	2.2643	2.5121	3.1132	3.9604	4.2610	2.7519	4.3102	3.7618	2.5041		2.6197
H16	3.4236	2.2340	3.3907	2.2505	2.2643	1.0829	2.5121	3.1132	3.9604	4.2610	4.3102	2.7519	2.5041	3.7618	2.6197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.546	C1	C3	H11	112.133
C1	C3	H14	110.484	C1	C4	C6	104.546
C1	C4	H12	112.133	C1	C4	H13	110.484
C2	C5	C3	117.330	C2	C5	C6	59.953
C2	C5	H15	118.256	C2	C6	C4	117.330
C2	C6	C5	59.953	C2	C6	H16	118.256
C3	C1	C4	105.246	C3	C1	H9	110.118
C3	C1	H10	112.258	C3	C5	C6	108.107
C3	C5	H15	118.586	C4	C1	H9	110.118
C4	C1	H10	112.258	C4	C6	C5	108.107
C4	C6	H16	118.586	C5	C2	C6	60.093
C5	C2	H7	116.980	C5	C2	H8	119.441
C5	C3	H11	113.077	C5	C3	H14	109.021
C5	C6	H16	120.837	C6	C2	H7	116.980
C6	C2	H8	119.441	C6	C4	H12	113.077
C6	C4	H13	109.021	C6	C5	H15	120.837
H7	C2	H8	113.793	H9	C1	H10	106.882
H11	C3	H14	107.563	H12	C4	H13	107.563

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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