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	hartrees
Energy at 0K	-233.871135
Energy at 298.15K
HF Energy	-233.015461
Nuclear repulsion energy	243.894412

Atom	x (Å)	y (Å)	z (Å)
C1	-0.190	1.437	0.000
C2	-0.926	-1.289	0.000
C3	0.293	0.633	1.229
C4	0.293	0.633	-1.229
C5	0.293	-0.814	0.758
C6	0.293	-0.814	-0.758
H7	-1.119	-2.365	0.000
H8	-1.832	-0.672	0.000
H9	-1.291	1.508	0.000
H10	0.197	2.469	0.000
H11	-0.348	0.799	2.111
H12	-0.348	0.799	-2.111
H13	1.323	0.924	-1.504
H14	1.323	0.924	1.504
H15	0.877	-1.551	1.319
H16	0.877	-1.551	-1.319

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8236	1.5461	1.5461	2.4242	2.4242	3.9143	2.6723	1.1030	1.1017	2.2109	2.2109	2.1943	2.1943	3.4362	3.4362
C2	2.8236		2.5865	2.5865	1.5126	1.5126	1.0937	1.0955	2.8207	3.9217	3.0252	3.0252	3.4953	3.4953	2.2492	2.2492
C3	1.5461	2.5865		2.4571	1.5215	2.4576	3.5346	2.7799	2.1878	2.2110	1.1037	3.4048	2.9342	1.1048	2.2622	3.4056
C4	1.5461	2.5865	2.4571		2.4576	1.5215	3.5346	2.7799	2.1878	2.2110	3.4048	1.1037	1.1048	2.9342	3.4056	2.2622
C5	2.4242	1.5126	1.5215	2.4576		1.5160	2.2305	2.2607	2.9117	3.3704	2.2013	3.3536	3.0324	2.1533	1.0944	2.2795
C6	2.4242	1.5126	2.4576	1.5215	1.5160		2.2305	2.2607	2.9117	3.3704	3.3536	2.2013	2.1533	3.0324	2.2795	1.0944
H7	3.9143	1.0937	3.5346	3.5346	2.2305	2.2305		1.8377	3.8775	5.0099	3.8816	3.8816	4.3638	4.3638	2.5265	2.5265
H8	2.6723	1.0955	2.7799	2.7799	2.2607	2.2607	1.8377		2.2460	3.7386	2.9701	2.9701	3.8418	3.8418	3.1380	3.1380
H9	1.1030	2.8207	2.1878	2.1878	2.9117	2.9117	3.8775	2.2460		1.7710	2.4183	2.4183	3.0718	3.0718	3.9746	3.9746
H10	1.1017	3.9217	2.2110	2.2110	3.3704	3.3704	5.0099	3.7386	1.7710		2.7459	2.7459	2.4320	2.4320	4.2847	4.2847
H11	2.2109	3.0252	1.1037	3.4048	2.2013	3.3536	3.8816	2.9701	2.4183	2.7459		4.2221	3.9842	1.7826	2.7663	4.3346
H12	2.2109	3.0252	3.4048	1.1037	3.3536	2.2013	3.8816	2.9701	2.4183	2.7459	4.2221		1.7826	3.9842	4.3346	2.7663
H13	2.1943	3.4953	2.9342	1.1048	3.0324	2.1533	4.3638	3.8418	3.0718	2.4320	3.9842	1.7826		3.0071	3.7803	2.5218
H14	2.1943	3.4953	1.1048	2.9342	2.1533	3.0324	4.3638	3.8418	3.0718	2.4320	1.7826	3.9842	3.0071		2.5218	3.7803
H15	3.4362	2.2492	2.2622	3.4056	1.0944	2.2795	2.5265	3.1380	3.9746	4.2847	2.7663	4.3346	3.7803	2.5218		2.6376
H16	3.4362	2.2492	3.4056	2.2622	2.2795	1.0944	2.5265	3.1380	3.9746	4.2847	4.3346	2.7663	2.5218	3.7803	2.6376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.416	C1	C3	H11	112.014
C1	C3	H14	110.632	C1	C4	C6	104.416
C1	C4	H12	112.014	C1	C4	H13	110.632
C2	C5	C3	116.967	C2	C5	C6	59.926
C2	C5	H15	118.368	C2	C6	C4	116.967
C2	C6	C5	59.926	C2	C6	H16	118.368
C3	C1	C4	105.236	C3	C1	H9	110.233
C3	C1	H10	112.147	C3	C5	C6	108.017
C3	C5	H15	118.810	C4	C1	H9	110.233
C4	C1	H10	112.147	C4	C6	C5	108.017
C4	C6	H16	118.810	C5	C2	C6	60.147
C5	C2	H7	116.788	C5	C2	H8	119.316
C5	C3	H11	113.006	C5	C3	H14	109.124
C5	C6	H16	120.825	C6	C2	H7	116.788
C6	C2	H8	119.316	C6	C4	H12	113.006
C6	C4	H13	109.124	C6	C5	H15	120.825
H7	C2	H8	114.156	H9	C1	H10	106.892
H11	C3	H14	107.639	H12	C4	H13	107.639

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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