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	hartrees
Energy at 0K	-233.977348
Energy at 298.15K
HF Energy	-233.038556
Nuclear repulsion energy	244.804349

Atom	x (Å)	y (Å)	z (Å)
C1	-0.195	1.433	0.000
C2	-0.921	-1.287	0.000
C3	0.293	0.632	1.223
C4	0.293	0.632	-1.223
C5	0.293	-0.811	0.755
C6	0.293	-0.811	-0.755
H7	-1.110	-2.356	0.000
H8	-1.821	-0.680	0.000
H9	-1.287	1.496	0.000
H10	0.184	2.458	0.000
H11	-0.341	0.794	2.102
H12	-0.341	0.794	-2.102
H13	1.315	0.922	-1.492
H14	1.315	0.922	1.492
H15	0.877	-1.541	1.308
H16	0.877	-1.541	-1.308

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8151	1.5413	1.5413	2.4164	2.4164	3.8972	2.6655	1.0934	1.0931	2.2014	2.2014	2.1835	2.1835	3.4204	3.4204
C2	2.8151		2.5796	2.5796	1.5068	1.5068	1.0850	1.0862	2.8069	3.9048	3.0147	3.0147	3.4799	3.4799	2.2375	2.2375
C3	1.5413	2.5796		2.4469	1.5168	2.4484	3.5202	2.7724	2.1766	2.2006	1.0952	3.3890	2.9163	1.0960	2.2515	3.3865
C4	1.5413	2.5796	2.4469		2.4484	1.5168	3.5202	2.7724	2.1766	2.2006	3.3890	1.0952	1.0960	2.9163	3.3865	2.2515
C5	2.4164	1.5068	1.5168	2.4484		1.5098	2.2194	2.2486	2.8953	3.3563	2.1890	3.3374	3.0163	2.1428	1.0862	2.2646
C6	2.4164	1.5068	2.4484	1.5168	1.5098		2.2194	2.2486	2.8953	3.3563	3.3374	2.1890	2.1428	3.0163	2.2646	1.0862
H7	3.8972	1.0850	3.5202	3.5202	2.2194	2.2194		1.8208	3.8555	4.9845	3.8644	3.8644	4.3421	4.3421	2.5143	2.5143
H8	2.6655	1.0862	2.7724	2.7724	2.2486	2.2486	1.8208		2.2399	3.7233	2.9635	2.9635	3.8248	3.8248	3.1195	3.1195
H9	1.0934	2.8069	2.1766	2.1766	2.8953	2.8953	3.8555	2.2399		1.7572	2.4092	2.4092	3.0536	3.0536	3.9510	3.9510
H10	1.0931	3.9048	2.2006	2.2006	3.3563	3.3563	4.9845	3.7233	1.7572		2.7313	2.7313	2.4218	2.4218	4.2638	4.2638
H11	2.2014	3.0147	1.0952	3.3890	2.1890	3.3374	3.8644	2.9635	2.4092	2.7313		4.2037	3.9594	1.7689	2.7508	4.3082
H12	2.2014	3.0147	3.3890	1.0952	3.3374	2.1890	3.8644	2.9635	2.4092	2.7313	4.2037		1.7689	3.9594	4.3082	2.7508
H13	2.1835	3.4799	2.9163	1.0960	3.0163	2.1428	4.3421	3.8248	3.0536	2.4218	3.9594	1.7689		2.9849	3.7549	2.5086
H14	2.1835	3.4799	1.0960	2.9163	2.1428	3.0163	4.3421	3.8248	3.0536	2.4218	1.7689	3.9594	2.9849		2.5086	3.7549
H15	3.4204	2.2375	2.2515	3.3865	1.0862	2.2646	2.5143	3.1195	3.9510	4.2638	2.7508	4.3082	3.7549	2.5086		2.6153
H16	3.4204	2.2375	3.3865	2.2515	2.2646	1.0862	2.5143	3.1195	3.9510	4.2638	4.3082	2.7508	2.5086	3.7549	2.6153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.402	C1	C3	H11	112.118
C1	C3	H14	110.639	C1	C4	C6	104.402
C1	C4	H12	112.118	C1	C4	H13	110.639
C2	C5	C3	117.113	C2	C5	C6	59.936
C2	C5	H15	118.380	C2	C6	C4	117.113
C2	C6	C5	59.936	C2	C6	H16	118.380
C3	C1	C4	105.078	C3	C1	H9	110.244
C3	C1	H10	112.179	C3	C5	C6	107.994
C3	C5	H15	118.828	C4	C1	H9	110.244
C4	C1	H10	112.179	C4	C6	C5	107.994
C4	C6	H16	118.828	C5	C2	C6	60.129
C5	C2	H7	116.868	C5	C2	H8	119.377
C5	C3	H11	112.881	C5	C3	H14	109.133
C5	C6	H16	120.589	C6	C2	H7	116.868
C6	C2	H8	119.377	C6	C4	H12	112.881
C6	C4	H13	109.133	C6	C5	H15	120.589
H7	C2	H8	113.992	H9	C1	H10	106.960
H11	C3	H14	107.656	H12	C4	H13	107.656

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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