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	hartrees
Energy at 0K	-39.152406
Energy at 298.15K
HF Energy	-38.616652
Nuclear repulsion energy	129.969067

Atom	x (Å)	y (Å)	z (Å)
C1	-0.171	1.479	0.000
C2	-0.947	-1.327	0.000
C3	0.293	0.644	1.259
C4	0.293	0.644	-1.259
C5	0.293	-0.830	0.773
C6	0.293	-0.830	-0.773
H7	-1.138	-2.401	0.000
H8	-1.860	-0.726	0.000
H9	-1.269	1.590	0.000
H10	0.251	2.498	0.000
H11	-0.359	0.810	2.134
H12	-0.359	0.810	-2.134
H13	1.321	0.927	-1.554
H14	1.321	0.927	1.554
H15	0.882	-1.559	1.333
H16	0.882	-1.559	-1.333

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.9115	1.5807	1.5807	2.4793	2.4793	3.9994	2.7777	1.1035	1.1021	2.2439	2.2439	2.2241	2.2241	3.4813	3.4813
C2	2.9115		2.6473	2.6473	1.5442	1.5442	1.0914	1.0932	2.9340	4.0076	3.0765	3.0765	3.5553	3.5553	2.2755	2.2755
C3	1.5807	2.6473		2.5177	1.5517	2.5103	3.5927	2.8460	2.2183	2.2411	1.1041	3.4587	3.0080	1.1058	2.2816	3.4520
C4	1.5807	2.6473	2.5177		2.5103	1.5517	3.5927	2.8460	2.2183	2.2411	3.4587	1.1041	1.1058	3.0080	3.4520	2.2816
C5	2.4793	1.5442	1.5517	2.5103		1.5465	2.2621	2.2909	2.9822	3.4164	2.2286	3.4009	3.0918	2.1800	1.0916	2.3052
C6	2.4793	1.5442	2.5103	1.5517	1.5465		2.2621	2.2909	2.9822	3.4164	3.4009	2.2286	2.1800	3.0918	2.3052	1.0916
H7	3.9994	1.0914	3.5927	3.5927	2.2621	2.2621		1.8247	3.9930	5.0920	3.9336	3.9336	4.4205	4.4205	2.5626	2.5626
H8	2.7777	1.0932	2.8460	2.8460	2.2909	2.2909	1.8247		2.3895	3.8531	3.0273	3.0273	3.9074	3.9074	3.1612	3.1612
H9	1.1035	2.9340	2.2183	2.2183	2.9822	2.9822	3.9930	2.3895		1.7705	2.4469	2.4469	3.0923	3.0923	4.0398	4.0398
H10	1.1021	4.0076	2.2411	2.2411	3.4164	3.4164	5.0920	3.8531	1.7705		2.7877	2.7877	2.4549	2.4549	4.3166	4.3166
H11	2.2439	3.0765	1.1041	3.4587	2.2286	3.4009	3.9336	3.0273	2.4469	2.7877		4.2672	4.0541	1.7811	2.7924	4.3785
H12	2.2439	3.0765	3.4587	1.1041	3.4009	2.2286	3.9336	3.0273	2.4469	2.7877	4.2672		1.7811	4.0541	4.3785	2.7924
H13	2.2241	3.5553	3.0080	1.1058	3.0918	2.1800	4.4205	3.9074	3.0923	2.4549	4.0541	1.7811		3.1082	3.8352	2.5345
H14	2.2241	3.5553	1.1058	3.0080	2.1800	3.0918	4.4205	3.9074	3.0923	2.4549	1.7811	4.0541	3.1082		2.5345	3.8352
H15	3.4813	2.2755	2.2816	3.4520	1.0916	2.3052	2.5626	3.1612	4.0398	4.3166	2.7924	4.3785	3.8352	2.5345		2.6655
H16	3.4813	2.2755	3.4520	2.2816	2.3052	1.0916	2.5626	3.1612	4.0398	4.3166	4.3785	2.7924	2.5345	3.8352	2.6655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.644	C1	C3	H11	112.176
C1	C3	H14	110.511	C1	C4	C6	104.644
C1	C4	H12	112.176	C1	C4	H13	110.511
C2	C5	C3	117.537	C2	C5	C6	59.951
C2	C5	H15	118.363	C2	C6	C4	117.537
C2	C6	C5	59.951	C2	C6	H16	118.363
C3	C1	C4	105.568	C3	C1	H9	110.199
C3	C1	H10	112.070	C3	C5	C6	108.236
C3	C5	H15	118.308	C4	C1	H9	110.199
C4	C1	H10	112.070	C4	C6	C5	108.236
C4	C6	H16	118.308	C5	C2	C6	60.099
C5	C2	H7	117.210	C5	C2	H8	119.620
C5	C3	H11	113.019	C5	C3	H14	109.078
C5	C6	H16	120.832	C6	C2	H7	117.210
C6	C2	H8	119.620	C6	C4	H12	113.019
C6	C4	H13	109.078	C6	C5	H15	120.832
H7	C2	H8	113.294	H9	C1	H10	106.782
H11	C3	H14	107.407	H12	C4	H13	107.407

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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