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	hartrees
Energy at 0K	-233.432577
Energy at 298.15K
HF Energy	-232.914761
Nuclear repulsion energy	239.113860

Atom	x (Å)	y (Å)	z (Å)
C1	-0.170	1.483	0.000
C2	-0.946	-1.334	0.000
C3	0.292	0.645	1.257
C4	0.292	0.645	-1.257
C5	0.292	-0.828	0.772
C6	0.292	-0.828	-0.772
H7	-1.129	-2.413	0.000
H8	-1.866	-0.741	0.000
H9	-1.270	1.596	0.000
H10	0.257	2.501	0.000
H11	-0.361	0.811	2.135
H12	-0.361	0.811	-2.135
H13	1.323	0.926	-1.550
H14	1.323	0.926	1.550
H15	0.886	-1.557	1.333
H16	0.886	-1.557	-1.333

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.9214	1.5798	1.5798	2.4797	2.4797	4.0116	2.7964	1.1054	1.1046	2.2459	2.2459	2.2231	2.2231	3.4829	3.4829
C2	2.9214		2.6512	2.6512	1.5446	1.5446	1.0943	1.0947	2.9477	4.0194	3.0818	3.0818	3.5578	3.5578	2.2765	2.2765
C3	1.5798	2.6512		2.5141	1.5504	2.5075	3.5984	2.8564	2.2192	2.2421	1.1063	3.4578	3.0035	1.1079	2.2816	3.4509
C4	1.5798	2.6512	2.5141		2.5075	1.5504	3.5984	2.8564	2.2192	2.2421	3.4578	1.1063	1.1079	3.0035	3.4509	2.2816
C5	2.4797	1.5446	1.5504	2.5075		1.5447	2.2644	2.2941	2.9853	3.4176	2.2286	3.4001	3.0873	2.1779	1.0946	2.3057
C6	2.4797	1.5446	2.5075	1.5504	1.5447		2.2644	2.2941	2.9853	3.4176	3.4001	2.2286	2.1779	3.0873	2.3057	1.0946
H7	4.0116	1.0943	3.5984	3.5984	2.2644	2.2644		1.8276	4.0114	5.1057	3.9416	3.9416	4.4227	4.4227	2.5627	2.5627
H8	2.7964	1.0947	2.8564	2.8564	2.2941	2.2941	1.8276		2.4117	3.8755	3.0379	3.0379	3.9181	3.9181	3.1649	3.1649
H9	1.1054	2.9477	2.2192	2.2192	2.9853	2.9853	4.0114	2.4117		1.7753	2.4494	2.4494	3.0943	3.0943	4.0453	4.0453
H10	1.1046	4.0194	2.2421	2.2421	3.4176	3.4176	5.1057	3.8755	1.7753		2.7922	2.7922	2.4534	2.4534	4.3173	4.3173
H11	2.2459	3.0818	1.1063	3.4578	2.2286	3.4001	3.9416	3.0379	2.4494	2.7922		4.2690	4.0526	1.7862	2.7930	4.3798
H12	2.2459	3.0818	3.4578	1.1063	3.4001	2.2286	3.9416	3.0379	2.4494	2.7922	4.2690		1.7862	4.0526	4.3798	2.7930
H13	2.2231	3.5578	3.0035	1.1079	3.0873	2.1779	4.4227	3.9181	3.0943	2.4534	4.0526	1.7862		3.0999	3.8297	2.5303
H14	2.2231	3.5578	1.1079	3.0035	2.1779	3.0873	4.4227	3.9181	3.0943	2.4534	1.7862	4.0526	3.0999		2.5303	3.8297
H15	3.4829	2.2765	2.2816	3.4509	1.0946	2.3057	2.5627	3.1649	4.0453	4.3173	2.7930	4.3798	3.8297	2.5303		2.6661
H16	3.4829	2.2765	3.4509	2.2816	2.3057	1.0946	2.5627	3.1649	4.0453	4.3173	4.3798	2.7930	2.5303	3.8297	2.6661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.771	C1	C3	H11	112.264
C1	C3	H14	110.376	C1	C4	C6	104.771
C1	C4	H12	112.264	C1	C4	H13	110.376
C2	C5	C3	117.870	C2	C5	C6	59.999
C2	C5	H15	118.209	C2	C6	C4	117.870
C2	C6	C5	59.999	C2	C6	H16	118.209
C3	C1	C4	105.440	C3	C1	H9	110.218
C3	C1	H10	112.061	C3	C5	C6	108.217
C3	C5	H15	118.196	C4	C1	H9	110.218
C4	C1	H10	112.061	C4	C6	C5	108.217
C4	C6	H16	118.196	C5	C2	C6	60.003
C5	C2	H7	117.175	C5	C2	H8	119.759
C5	C3	H11	112.971	C5	C3	H14	108.881
C5	C6	H16	120.814	C6	C2	H7	117.175
C6	C2	H8	119.759	C6	C4	H12	112.971
C6	C4	H13	108.881	C6	C5	H15	120.814
H7	C2	H8	113.202	H9	C1	H10	106.888
H11	C3	H14	107.552	H12	C4	H13	107.552

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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