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	hartrees
Energy at 0K	-232.253723
Energy at 298.15K
HF Energy	-231.702674
Nuclear repulsion energy	242.217981

Atom	x (Å)	y (Å)	z (Å)
C1	-0.182	1.455	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	0.764
C6	0.294	-0.823	-0.764
H7	-1.139	-2.360	0.000
H8	-1.832	-0.678	0.000
H9	-1.275	1.532	0.000
H10	0.221	2.474	0.000
H11	-0.353	0.794	2.114
H12	-0.353	0.794	-2.114
H13	1.318	0.921	-1.518
H14	1.318	0.921	1.518
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		2.8510	1.5650	1.5650	2.4500	2.4500	3.9339	2.6970	1.0958	1.0952	2.2219	2.2219	2.2003	2.2003	3.4484	3.4484
C2	2.8510		2.6036	2.6036	1.5243	1.5243	1.0855	1.0855	2.8455	3.9415	3.0280	3.0280	3.5069	3.5069	2.2575	2.2575
C3	1.5650	2.6036		2.4873	1.5334	2.4807	3.5449	2.7908	2.1948	2.2222	1.0964	3.4234	2.9596	1.0981	2.2602	3.4176
C4	1.5650	2.6036	2.4873		2.4807	1.5334	3.5449	2.7908	2.1948	2.2222	3.4234	1.0964	1.0981	2.9596	3.4176	2.2602
C5	2.4500	1.5243	1.5334	2.4807		1.5289	2.2369	2.2640	2.9312	3.3849	2.2031	3.3643	3.0498	2.1583	1.0839	2.2834
C6	2.4500	1.5243	2.4807	1.5334	1.5289		2.2369	2.2640	2.9312	3.3849	3.3643	2.2031	2.1583	3.0498	2.2834	1.0839
H7	3.9339	1.0855	3.5449	3.5449	2.2369	2.2369		1.8189	3.8943	5.0218	3.8776	3.8776	4.3718	4.3718	2.5419	2.5419
H8	2.6970	1.0855	2.7908	2.7908	2.2640	2.2640	1.8189		2.2789	3.7615	2.9705	2.9705	3.8451	3.8451	3.1355	3.1355
H9	1.0958	2.8455	2.1948	2.1948	2.9312	2.9312	3.8943	2.2789		1.7682	2.4219	2.4219	3.0664	3.0664	3.9827	3.9827
H10	1.0952	3.9415	2.2222	2.2222	3.3849	3.3849	5.0218	3.7615	1.7682		2.7607	2.7607	2.4329	2.4329	4.2846	4.2846
H11	2.2219	3.0280	1.0964	3.4234	2.2031	3.3643	3.8776	2.9705	2.4219	2.7607		4.2284	4.0004	1.7782	2.7616	4.3356
H12	2.2219	3.0280	3.4234	1.0964	3.3643	2.2031	3.8776	2.9705	2.4219	2.7607	4.2284		1.7782	4.0004	4.3356	2.7616
H13	2.2003	3.5069	2.9596	1.0981	3.0498	2.1583	4.3718	3.8451	3.0664	2.4329	4.0004	1.7782		3.0368	3.7897	2.5177
H14	2.2003	3.5069	1.0981	2.9596	2.1583	3.0498	4.3718	3.8451	3.0664	2.4329	1.7782	4.0004	3.0368		2.5177	3.7897
H15	3.4484	2.2575	2.2602	3.4176	1.0839	2.2834	2.5419	3.1355	3.9827	4.2846	2.7616	4.3356	3.7897	2.5177		2.6419
H16	3.4484	2.2575	3.4176	2.2602	2.2834	1.0839	2.5419	3.1355	3.9827	4.2846	4.3356	2.7616	2.5177	3.7897	2.6419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.503	C1	C3	H11	111.998
C1	C3	H14	110.191	C1	C4	C6	104.503
C1	C4	H12	111.998	C1	C4	H13	110.191
C2	C5	C3	116.752	C2	C5	C6	59.900
C2	C5	H15	118.921	C2	C6	C4	116.752
C2	C6	C5	59.900	C2	C6	H16	118.921
C3	C1	C4	105.250	C3	C1	H9	109.897
C3	C1	H10	112.093	C3	C5	C6	108.211
C3	C5	H15	118.435	C4	C1	H9	109.897
C4	C1	H10	112.093	C4	C6	C5	108.211
C4	C6	H16	118.435	C5	C2	C6	60.200
C5	C2	H7	116.984	C5	C2	H8	119.385
C5	C3	H11	112.753	C5	C3	H14	109.089
C5	C6	H16	120.893	C6	C2	H7	116.984
C6	C2	H8	119.385	C6	C4	H12	112.753
C6	C4	H13	109.089	C6	C5	H15	120.893
H7	C2	H8	113.816	H9	C1	H10	107.612
H11	C3	H14	108.253	H12	C4	H13	108.253

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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