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	hartrees
Energy at 0K	-234.129228
Energy at 298.15K	-234.123065
HF Energy	-232.997683
Nuclear repulsion energy	244.758934

Atom	x (Å)	y (Å)	z (Å)
C1	-0.170	1.452	0.000
C2	-0.921	-1.301	0.000
C3	0.286	0.632	1.227
C4	0.286	0.632	-1.227
C5	0.286	-0.814	0.752
C6	0.286	-0.814	-0.752
H7	-1.099	-2.365	0.000
H8	-1.826	-0.713	0.000
H9	-1.252	1.558	0.000
H10	0.242	2.458	0.000
H11	-0.352	0.799	2.094
H12	-0.352	0.799	-2.094
H13	1.300	0.911	-1.513
H14	1.300	0.911	1.513
H15	0.862	-1.537	1.308
H16	0.862	-1.537	-1.308

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8534	1.5441	1.5441	2.4300	2.4300	3.9285	2.7253	1.0875	1.0871	2.2005	2.2005	2.1771	2.1771	3.4214	3.4214
C2	2.8534		2.5879	2.5879	1.5024	1.5024	1.0791	1.0797	2.8786	3.9346	3.0200	3.0200	3.4800	3.4800	2.2236	2.2236
C3	1.5441	2.5879		2.4539	1.5220	2.4506	3.5222	2.7877	2.1742	2.2002	1.0888	3.3854	2.9347	1.0898	2.2455	3.3855
C4	1.5441	2.5879	2.4539		2.4506	1.5220	3.5222	2.7877	2.1742	2.2002	3.3854	1.0888	1.0898	2.9347	3.3855	2.2455
C5	2.4300	1.5024	1.5220	2.4506		1.5032	2.2109	2.2435	2.9251	3.3573	2.1934	3.3325	3.0217	2.1406	1.0791	2.2577
C6	2.4300	1.5024	2.4506	1.5220	1.5032		2.2109	2.2435	2.9251	3.3573	3.3325	2.1934	2.1406	3.0217	2.2577	1.0791
H7	3.9285	1.0791	3.5222	3.5222	2.2109	2.2109		1.8057	3.9268	5.0061	3.8676	3.8676	4.3328	4.3328	2.4985	2.4985
H8	2.7253	1.0797	2.7877	2.7877	2.2435	2.2435	1.8057		2.3424	3.7852	2.9738	2.9738	3.8330	3.8330	3.1008	3.1008
H9	1.0875	2.8786	2.1742	2.1742	2.9251	2.9251	3.9268	2.3424		1.7437	2.4020	2.4020	3.0361	3.0361	3.9698	3.9698
H10	1.0871	3.9346	2.2002	2.2002	3.3573	3.3573	5.0061	3.7852	1.7437		2.7361	2.7361	2.4085	2.4085	4.2488	4.2488
H11	2.2005	3.0200	1.0888	3.3854	2.1934	3.3325	3.8676	2.9738	2.4020	2.7361		4.1875	3.9683	1.7540	2.7475	4.3016
H12	2.2005	3.0200	3.3854	1.0888	3.3325	2.1934	3.8676	2.9738	2.4020	2.7361	4.1875		1.7540	3.9683	4.3016	2.7475
H13	2.1771	3.4800	2.9347	1.0898	3.0217	2.1406	4.3328	3.8330	3.0361	2.4085	3.9683	1.7540		3.0258	3.7602	2.4946
H14	2.1771	3.4800	1.0898	2.9347	2.1406	3.0217	4.3328	3.8330	3.0361	2.4085	1.7540	3.9683	3.0258		2.4946	3.7602
H15	3.4214	2.2236	2.2455	3.3855	1.0791	2.2577	2.4985	3.1008	3.9698	4.2488	2.7475	4.3016	3.7602	2.4946		2.6161
H16	3.4214	2.2236	3.3855	2.2455	2.2577	1.0791	2.4985	3.1008	3.9698	4.2488	4.3016	2.7475	2.4946	3.7602	2.6161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.841	C1	C3	H11	112.231
C1	C3	H14	110.303	C1	C4	C6	104.841
C1	C4	H12	112.231	C1	C4	H13	110.303
C2	C5	C3	117.664	C2	C5	C6	59.981
C2	C5	H15	118.017	C2	C6	C4	117.664
C2	C6	C5	59.981	C2	C6	H16	118.017
C3	C1	C4	105.230	C3	C1	H9	110.208
C3	C1	H10	112.316	C3	C5	C6	108.197
C3	C5	H15	118.376	C4	C1	H9	110.208
C4	C1	H10	112.316	C4	C6	C5	108.197
C4	C6	H16	118.376	C5	C2	C6	60.037
C5	C2	H7	116.893	C5	C2	H8	119.758
C5	C3	H11	113.256	C5	C3	H14	108.960
C5	C6	H16	121.043	C6	C2	H7	116.893
C6	C2	H8	119.758	C6	C4	H12	113.256
C6	C4	H13	108.960	C6	C5	H15	121.043
H7	C2	H8	113.531	H9	C1	H10	106.615
H11	C3	H14	107.235	H12	C4	H13	107.235

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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