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	hartrees
Energy at 0K	-233.682966
Energy at 298.15K
HF Energy	-233.000877
Nuclear repulsion energy	245.493484

Atom	x (Å)	y (Å)	z (Å)
C1	-0.183	1.436	0.000
C2	-0.917	-1.289	0.000
C3	0.289	0.630	1.222
C4	0.289	0.630	-1.222
C5	0.289	-0.810	0.750
C6	0.289	-0.810	-0.750
H7	-1.103	-2.353	0.000
H8	-1.818	-0.691	0.000
H9	-1.269	1.517	0.000
H10	0.208	2.452	0.000
H11	-0.345	0.795	2.093
H12	-0.345	0.795	-2.093
H13	1.305	0.915	-1.497
H14	1.305	0.915	1.497
H15	0.867	-1.534	1.306
H16	0.867	-1.534	-1.306

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8224	1.5378	1.5378	2.4144	2.4144	3.8996	2.6829	1.0889	1.0883	2.1951	2.1951	2.1743	2.1743	3.4105	3.4105
C2	2.8224		2.5746	2.5746	1.4988	1.4988	1.0804	1.0814	2.8279	3.9065	3.0087	3.0087	3.4695	3.4695	2.2244	2.2244
C3	1.5378	2.5746		2.4432	1.5148	2.4414	3.5112	2.7704	2.1691	2.1951	1.0901	3.3788	2.9165	1.0910	2.2418	3.3772
C4	1.5378	2.5746	2.4432		2.4414	1.5148	3.5112	2.7704	2.1691	2.1951	3.3788	1.0901	1.0910	2.9165	3.3772	2.2418
C5	2.4144	1.4988	1.5148	2.4414		1.5004	2.2095	2.2393	2.8985	3.3477	2.1864	3.3259	3.0097	2.1368	1.0809	2.2553
C6	2.4144	1.4988	2.4414	1.5148	1.5004		2.2095	2.2393	2.8985	3.3477	3.3259	2.1864	2.1368	3.0097	2.2553	1.0809
H7	3.8996	1.0804	3.5112	3.5112	2.2095	2.2095		1.8097	3.8738	4.9808	3.8560	3.8560	4.3269	4.3269	2.5012	2.5012
H8	2.6829	1.0814	2.7704	2.7704	2.2393	2.2393	1.8097		2.2751	3.7393	2.9597	2.9597	3.8176	3.8176	3.1025	3.1025
H9	1.0889	2.8279	2.1691	2.1691	2.8985	2.8985	3.8738	2.2751		1.7480	2.3992	2.3992	3.0379	3.0379	3.9467	3.9467
H10	1.0883	3.9065	2.1951	2.1951	3.3477	3.3477	4.9808	3.7393	1.7480		2.7262	2.7262	2.4098	2.4098	4.2460	4.2460
H11	2.1951	3.0087	1.0901	3.3788	2.1864	3.3259	3.8560	2.9597	2.3992	2.7262		4.1863	3.9532	1.7584	2.7414	4.2950
H12	2.1951	3.0087	3.3788	1.0901	3.3259	2.1864	3.8560	2.9597	2.3992	2.7262	4.1863		1.7584	3.9532	4.2950	2.7414
H13	2.1743	3.4695	2.9165	1.0910	3.0097	2.1368	4.3269	3.8176	3.0379	2.4098	3.9532	1.7584		2.9944	3.7480	2.4956
H14	2.1743	3.4695	1.0910	2.9165	2.1368	3.0097	4.3269	3.8176	3.0379	2.4098	1.7584	3.9532	2.9944		2.4956	3.7480
H15	3.4105	2.2244	2.2418	3.3772	1.0809	2.2553	2.5012	3.1025	3.9467	4.2460	2.7414	4.2950	3.7480	2.4956		2.6114
H16	3.4105	2.2244	3.3772	2.2418	2.2553	1.0809	2.5012	3.1025	3.9467	4.2460	4.2950	2.7414	2.4956	3.7480	2.6114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.542	C1	C3	H11	112.174
C1	C3	H14	110.451	C1	C4	C6	104.542
C1	C4	H12	112.174	C1	C4	H13	110.451
C2	C5	C3	117.372	C2	C5	C6	59.965
C2	C5	H15	118.248	C2	C6	C4	117.372
C2	C6	C5	59.965	C2	C6	H16	118.248
C3	C1	C4	105.190	C3	C1	H9	110.164
C3	C1	H10	112.278	C3	C5	C6	108.131
C3	C5	H15	118.503	C4	C1	H9	110.164
C4	C1	H10	112.278	C4	C6	C5	108.131
C4	C6	H16	118.503	C5	C2	C6	60.071
C5	C2	H7	116.967	C5	C2	H8	119.557
C5	C3	H11	113.130	C5	C3	H14	109.085
C5	C6	H16	120.927	C6	C2	H7	116.967
C6	C2	H8	119.557	C6	C4	H12	113.130
C6	C4	H13	109.085	C6	C5	H15	120.927
H7	C2	H8	113.675	H9	C1	H10	106.811
H11	C3	H14	107.448	H12	C4	H13	107.448

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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