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	hartrees
Energy at 0K	-233.917187
Energy at 298.15K
HF Energy	-233.016706
Nuclear repulsion energy	244.725180

Atom	x (Å)	y (Å)	z (Å)
C1	-0.187	1.439	0.000
C2	-0.921	-1.292	0.000
C3	0.291	0.633	1.226
C4	0.291	0.633	-1.226
C5	0.291	-0.813	0.754
C6	0.291	-0.813	-0.754
H7	-1.109	-2.358	0.000
H8	-1.821	-0.690	0.000
H9	-1.276	1.511	0.000
H10	0.197	2.459	0.000
H11	-0.342	0.798	2.101
H12	-0.342	0.798	-2.101
H13	1.310	0.920	-1.499
H14	1.310	0.920	1.499
H15	0.870	-1.539	1.310
H16	0.870	-1.539	-1.310

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8279	1.5436	1.5436	2.4221	2.4221	3.9067	2.6839	1.0913	1.0903	2.2017	2.2017	2.1811	2.1811	3.4204	3.4204
C2	2.8279		2.5839	2.5839	1.5055	1.5055	1.0818	1.0831	2.8253	3.9144	3.0195	3.0195	3.4809	3.4809	2.2323	2.2323
C3	1.5436	2.5839		2.4527	1.5203	2.4516	3.5218	2.7775	2.1749	2.2020	1.0922	3.3907	2.9238	1.0933	2.2486	3.3886
C4	1.5436	2.5839	2.4527		2.4516	1.5203	3.5218	2.7775	2.1749	2.2020	3.3907	1.0922	1.0933	2.9238	3.3886	2.2486
C5	2.4221	1.5055	1.5203	2.4516		1.5081	2.2168	2.2459	2.9019	3.3587	2.1929	3.3384	3.0195	2.1438	1.0824	2.2634
C6	2.4221	1.5055	2.4516	1.5203	1.5081		2.2168	2.2459	2.9019	3.3587	3.3384	2.1929	2.1438	3.0195	2.2634	1.0824
H7	3.9067	1.0818	3.5218	3.5218	2.2168	2.2168		1.8132	3.8718	4.9906	3.8677	3.8677	4.3405	4.3405	2.5103	2.5103
H8	2.6839	1.0831	2.7775	2.7775	2.2459	2.2459	1.8132		2.2674	3.7407	2.9690	2.9690	3.8267	3.8267	3.1109	3.1109
H9	1.0913	2.8253	2.1749	2.1749	2.9019	2.9019	3.8718	2.2674		1.7524	2.4067	2.4067	3.0467	3.0467	3.9522	3.9522
H10	1.0903	3.9144	2.2020	2.2020	3.3587	3.3587	4.9906	3.7407	1.7524		2.7318	2.7318	2.4192	2.4192	4.2603	4.2603
H11	2.2017	3.0195	1.0922	3.3907	2.1929	3.3384	3.8677	2.9690	2.4067	2.7318		4.2013	3.9626	1.7624	2.7487	4.3085
H12	2.2017	3.0195	3.3907	1.0922	3.3384	2.1929	3.8677	2.9690	2.4067	2.7318	4.2013		1.7624	3.9626	4.3085	2.7487
H13	2.1811	3.4809	2.9238	1.0933	3.0195	2.1438	4.3405	3.8267	3.0467	2.4192	3.9626	1.7624		2.9981	3.7591	2.5050
H14	2.1811	3.4809	1.0933	2.9238	2.1438	3.0195	4.3405	3.8267	3.0467	2.4192	1.7624	3.9626	2.9981		2.5050	3.7591
H15	3.4204	2.2323	2.2486	3.3886	1.0824	2.2634	2.5103	3.1109	3.9522	4.2603	2.7487	4.3085	3.7591	2.5050		2.6201
H16	3.4204	2.2323	3.3886	2.2486	2.2634	1.0824	2.5103	3.1109	3.9522	4.2603	4.3085	2.7487	2.5050	3.7591	2.6201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.464	C1	C3	H11	112.159
C1	C3	H14	110.449	C1	C4	C6	104.464
C1	C4	H12	112.159	C1	C4	H13	110.449
C2	C5	C3	117.286	C2	C5	C6	59.941
C2	C5	H15	118.303	C2	C6	C4	117.286
C2	C6	C5	59.941	C2	C6	H16	118.303
C3	C1	C4	105.209	C3	C1	H9	110.083
C3	C1	H10	112.305	C3	C5	C6	108.097
C3	C5	H15	118.555	C4	C1	H9	110.083
C4	C1	H10	112.305	C4	C6	C5	108.097
C4	C6	H16	118.555	C5	C2	C6	60.117
C5	C2	H7	116.972	C5	C2	H8	119.470
C5	C3	H11	113.131	C5	C3	H14	109.126
C5	C6	H16	120.909	C6	C2	H7	116.972
C6	C2	H8	119.470	C6	C4	H12	113.131
C6	C4	H13	109.126	C6	C5	H15	120.909
H7	C2	H8	113.757	H9	C1	H10	106.890
H11	C3	H14	107.500	H12	C4	H13	107.500

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

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

States and conformations

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