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	hartrees
Energy at 0K	-232.243532
Energy at 298.15K
HF Energy	-231.702615
Nuclear repulsion energy	242.162169

Atom	x (Å)	y (Å)	z (Å)
C1	-0.182	1.456	0.000
C2	-0.938	-1.294	0.000
C3	0.294	0.634	1.244
C4	0.294	0.634	-1.244
C5	0.294	-0.823	0.765
C6	0.294	-0.823	-0.765
H7	-1.139	-2.361	0.000
H8	-1.832	-0.679	0.000
H9	-1.275	1.533	0.000
H10	0.222	2.474	0.000
H11	-0.353	0.794	2.114
H12	-0.353	0.794	-2.114
H13	1.318	0.921	-1.519
H14	1.318	0.921	1.519
H15	0.875	-1.549	1.321
H16	0.875	-1.549	-1.321

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8523	1.5653	1.5653	2.4506	2.4506	3.9354	2.6988	1.0959	1.0954	2.2223	2.2223	2.2007	2.2007	3.4491	3.4491
C2	2.8523		2.6044	2.6044	1.5246	1.5246	1.0857	1.0856	2.8474	3.9429	3.0288	3.0288	3.5078	3.5078	2.2578	2.2578
C3	1.5653	2.6044		2.4879	1.5337	2.4813	3.5457	2.7918	2.1952	2.2225	1.0966	3.4240	2.9605	1.0983	2.2606	3.4182
C4	1.5653	2.6044	2.4879		2.4813	1.5337	3.5457	2.7918	2.1952	2.2225	3.4240	1.0966	1.0983	2.9605	3.4182	2.2606
C5	2.4506	1.5246	1.5337	2.4813		1.5292	2.2372	2.2644	2.9323	3.3855	2.2036	3.3649	3.0505	2.1587	1.0840	2.2838
C6	2.4506	1.5246	2.4813	1.5337	1.5292		2.2372	2.2644	2.9323	3.3855	3.3649	2.2036	2.1587	3.0505	2.2838	1.0840
H7	3.9354	1.0857	3.5457	3.5457	2.2372	2.2372		1.8191	3.8965	5.0233	3.8786	3.8786	4.3726	4.3726	2.5421	2.5421
H8	2.6988	1.0856	2.7918	2.7918	2.2644	2.2644	1.8191		2.2813	3.7636	2.9715	2.9715	3.8462	3.8462	3.1359	3.1359
H9	1.0959	2.8474	2.1952	2.1952	2.9323	2.9323	3.8965	2.2813		1.7684	2.4223	2.4223	3.0668	3.0668	3.9839	3.9839
H10	1.0954	3.9429	2.2225	2.2225	3.3855	3.3855	5.0233	3.7636	1.7684		2.7613	2.7613	2.4331	2.4331	4.2851	4.2851
H11	2.2223	3.0288	1.0966	3.4240	2.2036	3.3649	3.8786	2.9715	2.4223	2.7613		4.2290	4.0013	1.7784	2.7622	4.3363
H12	2.2223	3.0288	3.4240	1.0966	3.3649	2.2036	3.8786	2.9715	2.4223	2.7613	4.2290		1.7784	4.0013	4.3363	2.7622
H13	2.2007	3.5078	2.9605	1.0983	3.0505	2.1587	4.3726	3.8462	3.0668	2.4331	4.0013	1.7784		3.0381	3.7904	2.5179
H14	2.2007	3.5078	1.0983	2.9605	2.1587	3.0505	4.3726	3.8462	3.0668	2.4331	1.7784	4.0013	3.0381		2.5179	3.7904
H15	3.4491	2.2578	2.2606	3.4182	1.0840	2.2838	2.5421	3.1359	3.9839	4.2851	2.7622	4.3363	3.7904	2.5179		2.6423
H16	3.4491	2.2578	3.4182	2.2606	2.2838	1.0840	2.5421	3.1359	3.9839	4.2851	4.3363	2.7622	2.5179	3.7904	2.6423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.510	C1	C3	H11	112.000
C1	C3	H14	110.188	C1	C4	C6	104.510
C1	C4	H12	112.000	C1	C4	H13	110.188
C2	C5	C3	116.771	C2	C5	C6	59.900
C2	C5	H15	118.913	C2	C6	C4	116.771
C2	C6	C5	59.900	C2	C6	H16	118.913
C3	C1	C4	105.254	C3	C1	H9	109.898
C3	C1	H10	112.092	C3	C5	C6	108.213
C3	C5	H15	118.429	C4	C1	H9	109.898
C4	C1	H10	112.092	C4	C6	C5	108.213
C4	C6	H16	118.429	C5	C2	C6	60.200
C5	C2	H7	116.982	C5	C2	H8	119.388
C5	C3	H11	112.755	C5	C3	H14	109.086
C5	C6	H16	120.891	C6	C2	H7	116.982
C6	C2	H8	119.388	C6	C4	H12	112.755
C6	C4	H13	109.086	C6	C5	H15	120.891
H7	C2	H8	113.815	H9	C1	H10	107.609
H11	C3	H14	108.248	H12	C4	H13	108.248

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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