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	hartrees
Energy at 0K	-233.400421
Energy at 298.15K
HF Energy	-232.900109
Nuclear repulsion energy	242.842026

Atom	x (Å)	y (Å)	z (Å)
C1	-0.166	1.461	0.000
C2	-0.931	-1.311	0.000
C3	0.288	0.635	1.241
C4	0.288	0.635	-1.241
C5	0.288	-0.819	0.761
C6	0.288	-0.819	-0.761
H7	-1.121	-2.378	0.000
H8	-1.838	-0.717	0.000
H9	-1.255	1.572	0.000
H10	0.253	2.472	0.000
H11	-0.361	0.801	2.108
H12	-0.361	0.801	-2.108
H13	1.306	0.917	-1.536
H14	1.306	0.917	1.536
H15	0.871	-1.539	1.321
H16	0.871	-1.539	-1.321

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8760	1.5585	1.5585	2.4460	2.4460	3.9566	2.7465	1.0949	1.0938	2.2177	2.2177	2.1959	2.1959	3.4386	3.4386
C2	2.8760		2.6101	2.6101	1.5188	1.5188	1.0839	1.0844	2.9013	3.9637	3.0379	3.0379	3.5110	3.5110	2.2459	2.2459
C3	1.5585	2.6101		2.4821	1.5309	2.4740	3.5503	2.8088	2.1906	2.2169	1.0953	3.4153	2.9709	1.0971	2.2527	3.4104
C4	1.5585	2.6101	2.4821		2.4740	1.5309	3.5503	2.8088	2.1906	2.2169	3.4153	1.0953	1.0971	2.9709	3.4104	2.2527
C5	2.4460	1.5188	1.5309	2.4740		1.5218	2.2352	2.2604	2.9453	3.3773	2.2040	3.3576	3.0534	2.1563	1.0832	2.2788
C6	2.4460	1.5188	2.4740	1.5309	1.5218		2.2352	2.2604	2.9453	3.3773	3.3576	2.2040	2.1563	3.0534	2.2788	1.0832
H7	3.9566	1.0839	3.5503	3.5503	2.2352	2.2352		1.8092	3.9525	5.0408	3.8894	3.8894	4.3712	4.3712	2.5332	2.5332
H8	2.7465	1.0844	2.8088	2.8088	2.2604	2.2604	1.8092		2.3623	3.8135	2.9885	2.9885	3.8622	3.8622	3.1244	3.1244
H9	1.0949	2.9013	2.1906	2.1906	2.9453	2.9453	3.9525	2.3623		1.7562	2.4164	2.4164	3.0575	3.0575	3.9933	3.9933
H10	1.0938	3.9637	2.2169	2.2169	3.3773	3.3773	5.0408	3.8135	1.7562		2.7591	2.7591	2.4258	2.4258	4.2679	4.2679
H11	2.2177	3.0379	1.0953	3.4153	2.2040	3.3576	3.8894	2.9885	2.4164	2.7591		4.2161	4.0085	1.7664	2.7593	4.3301
H12	2.2177	3.0379	3.4153	1.0953	3.3576	2.2040	3.8894	2.9885	2.4164	2.7591	4.2161		1.7664	4.0085	4.3301	2.7593
H13	2.1959	3.5110	2.9709	1.0971	3.0534	2.1563	4.3712	3.8622	3.0575	2.4258	4.0085	1.7664		3.0712	3.7922	2.5037
H14	2.1959	3.5110	1.0971	2.9709	2.1563	3.0534	4.3712	3.8622	3.0575	2.4258	1.7664	4.0085	3.0712		2.5037	3.7922
H15	3.4386	2.2459	2.2527	3.4104	1.0832	2.2788	2.5332	3.1244	3.9933	4.2679	2.7593	4.3301	3.7922	2.5037		2.6414
H16	3.4386	2.2459	3.4104	2.2527	2.2788	1.0832	2.5332	3.1244	3.9933	4.2679	4.3301	2.7593	2.5037	3.7922	2.6414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.696	C1	C3	H11	112.195
C1	C3	H14	110.357	C1	C4	C6	104.696
C1	C4	H12	112.195	C1	C4	H13	110.357
C2	C5	C3	117.713	C2	C5	C6	59.935
C2	C5	H15	118.386	C2	C6	C4	117.713
C2	C6	C5	59.935	C2	C6	H16	118.386
C3	C1	C4	105.559	C3	C1	H9	110.074
C3	C1	H10	112.223	C3	C5	C6	108.279
C3	C5	H15	118.015	C4	C1	H9	110.074
C4	C1	H10	112.223	C4	C6	C5	108.279
C4	C6	H16	118.015	C5	C2	C6	60.130
C5	C2	H7	117.384	C5	C2	H8	119.593
C5	C3	H11	113.072	C5	C3	H14	109.159
C5	C6	H16	121.119	C6	C2	H7	117.384
C6	C2	H8	119.593	C6	C4	H12	113.072
C6	C4	H13	109.159	C6	C5	H15	121.119
H7	C2	H8	113.104	H9	C1	H10	106.726
H11	C3	H14	107.354	H12	C4	H13	107.354

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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