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	hartrees
Energy at 0K	-232.204782
Energy at 298.15K
HF Energy	-231.703846
Nuclear repulsion energy	243.045834

Atom	x (Å)	y (Å)	z (Å)
C1	-0.179	1.454	0.000
C2	-0.935	-1.289	0.000
C3	0.293	0.631	1.240
C4	0.293	0.631	-1.240
C5	0.293	-0.822	0.761
C6	0.293	-0.822	-0.761
H7	-1.138	-2.351	0.000
H8	-1.826	-0.675	0.000
H9	-1.268	1.534	0.000
H10	0.226	2.466	0.000
H11	-0.352	0.791	2.107
H12	-0.352	0.791	-2.107
H13	1.312	0.917	-1.516
H14	1.312	0.917	1.516
H15	0.870	-1.546	1.316
H16	0.870	-1.546	-1.316

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8450	1.5610	1.5610	2.4453	2.4453	3.9237	2.6912	1.0917	1.0909	2.2154	2.2154	2.1932	2.1932	3.4396	3.4396
C2	2.8450		2.5953	2.5953	1.5188	1.5188	1.0814	1.0812	2.8426	3.9310	3.0172	3.0172	3.4952	3.4952	2.2489	2.2489
C3	1.5610	2.5953		2.4804	1.5302	2.4733	3.5329	2.7810	2.1884	2.2157	1.0921	3.4123	2.9522	1.0939	2.2540	3.4073
C4	1.5610	2.5953	2.4804		2.4733	1.5302	3.5329	2.7810	2.1884	2.2157	3.4123	1.0921	1.0939	2.9522	3.4073	2.2540
C5	2.4453	1.5188	1.5302	2.4733		1.5223	2.2283	2.2560	2.9268	3.3758	2.1970	3.3528	3.0408	2.1522	1.0796	2.2743
C6	2.4453	1.5188	2.4733	1.5302	1.5223		2.2283	2.2560	2.9268	3.3758	3.3528	2.1970	2.1522	3.0408	2.2743	1.0796
H7	3.9237	1.0814	3.5329	3.5329	2.2283	2.2283		1.8118	3.8876	5.0070	3.8636	3.8636	4.3568	4.3568	2.5319	2.5319
H8	2.6912	1.0812	2.7810	2.7810	2.2560	2.2560	1.8118		2.2787	3.7523	2.9594	2.9594	3.8314	3.8314	3.1235	3.1235
H9	1.0917	2.8426	2.1884	2.1884	2.9268	2.9268	3.8876	2.2787		1.7611	2.4145	2.4145	3.0555	3.0555	3.9737	3.9737
H10	1.0909	3.9310	2.2157	2.2157	3.3758	3.3758	5.0070	3.7523	1.7611		2.7534	2.7534	2.4244	2.4244	4.2716	4.2716
H11	2.2154	3.0172	1.0921	3.4123	2.1970	3.3528	3.8636	2.9594	2.4145	2.7534		4.2136	3.9886	1.7710	2.7531	4.3209
H12	2.2154	3.0172	3.4123	1.0921	3.3528	2.1970	3.8636	2.9594	2.4145	2.7534	4.2136		1.7710	3.9886	4.3209	2.7531
H13	2.1932	3.4952	2.9522	1.0939	3.0408	2.1522	4.3568	3.8314	3.0555	2.4244	3.9886	1.7710		3.0313	3.7791	2.5105
H14	2.1932	3.4952	1.0939	2.9522	2.1522	3.0408	4.3568	3.8314	3.0555	2.4244	1.7710	3.9886	3.0313		2.5105	3.7791
H15	3.4396	2.2489	2.2540	3.4073	1.0796	2.2743	2.5319	3.1235	3.9737	4.2716	2.7531	4.3209	3.7791	2.5105		2.6322
H16	3.4396	2.2489	3.4073	2.2540	2.2743	1.0796	2.5319	3.1235	3.9737	4.2716	4.3209	2.7531	2.5105	3.7791	2.6322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.565	C1	C3	H11	112.022
C1	C3	H14	110.150	C1	C4	C6	104.565
C1	C4	H12	112.022	C1	C4	H13	110.150
C2	C5	C3	116.681	C2	C5	C6	59.923
C2	C5	H15	118.911	C2	C6	C4	116.681
C2	C6	C5	59.923	C2	C6	H16	118.911
C3	C1	C4	105.209	C3	C1	H9	109.906
C3	C1	H10	112.119	C3	C5	C6	108.243
C3	C5	H15	118.446	C4	C1	H9	109.906
C4	C1	H10	112.119	C4	C6	C5	108.243
C4	C6	H16	118.446	C5	C2	C6	60.153
C5	C2	H7	116.957	C5	C2	H8	119.425
C5	C3	H11	112.758	C5	C3	H14	109.070
C5	C6	H16	120.932	C6	C2	H7	116.957
C6	C2	H8	119.425	C6	C4	H12	112.758
C6	C4	H13	109.070	C6	C5	H15	120.932
H7	C2	H8	113.817	H9	C1	H10	107.584
H11	C3	H14	108.222	H12	C4	H13	108.222

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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