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	hartrees
Energy at 0K	-233.840830
Energy at 298.15K
HF Energy	-232.999741
Nuclear repulsion energy	244.121684

Atom	x (Å)	y (Å)	z (Å)
C1	-0.183	1.444	0.000
C2	-0.923	-1.296	0.000
C3	0.290	0.633	1.229
C4	0.290	0.633	-1.229
C5	0.290	-0.814	0.755
C6	0.290	-0.814	-0.755
H7	-1.112	-2.368	0.000
H8	-1.831	-0.693	0.000
H9	-1.277	1.527	0.000
H10	0.213	2.467	0.000
H11	-0.350	0.799	2.107
H12	-0.350	0.799	-2.107
H13	1.314	0.920	-1.509
H14	1.314	0.920	1.509
H15	0.874	-1.544	1.315
H16	0.874	-1.544	-1.315

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8380	1.5462	1.5462	2.4270	2.4270	3.9237	2.6983	1.0977	1.0971	2.2093	2.2093	2.1886	2.1886	3.4309	3.4309
C2	2.8380		2.5887	2.5887	1.5080	1.5080	1.0889	1.0900	2.8452	3.9307	3.0256	3.0256	3.4919	3.4919	2.2401	2.2401
C3	1.5462	2.5887		2.4574	1.5223	2.4552	3.5330	2.7865	2.1831	2.2091	1.0989	3.4001	2.9367	1.0999	2.2553	3.3982
C4	1.5462	2.5887	2.4574		2.4552	1.5223	3.5330	2.7865	2.1831	2.2091	3.4001	1.0989	1.0999	2.9367	3.3982	2.2553
C5	2.4270	1.5080	1.5223	2.4552		1.5099	2.2252	2.2545	2.9167	3.3675	2.1994	3.3464	3.0299	2.1505	1.0895	2.2709
C6	2.4270	1.5080	2.4552	1.5223	1.5099		2.2252	2.2545	2.9167	3.3675	3.3464	2.1994	2.1505	3.0299	2.2709	1.0895
H7	3.9237	1.0889	3.5330	3.5330	2.2252	2.2252		1.8234	3.8990	5.0136	3.8794	3.8794	4.3563	4.3563	2.5200	2.5200
H8	2.6983	1.0900	2.7865	2.7865	2.2545	2.2545	1.8234		2.2878	3.7630	2.9758	2.9758	3.8430	3.8430	3.1253	3.1253
H9	1.0977	2.8452	2.1831	2.1831	2.9167	2.9167	3.8990	2.2878		1.7618	2.4141	2.4141	3.0592	3.0592	3.9733	3.9733
H10	1.0971	3.9307	2.2091	2.2091	3.3675	3.3675	5.0136	3.7630	1.7618		2.7453	2.7453	2.4249	2.4249	4.2724	4.2724
H11	2.2093	3.0256	1.0989	3.4001	2.1994	3.3464	3.8794	2.9758	2.4141	2.7453		4.2130	3.9815	1.7722	2.7592	4.3233
H12	2.2093	3.0256	3.4001	1.0989	3.3464	2.1994	3.8794	2.9758	2.4141	2.7453	4.2130		1.7722	3.9815	4.3233	2.7592
H13	2.1886	3.4919	2.9367	1.0999	3.0299	2.1505	4.3563	3.8430	3.0592	2.4249	3.9815	1.7722		3.0173	3.7734	2.5110
H14	2.1886	3.4919	1.0999	2.9367	2.1505	3.0299	4.3563	3.8430	3.0592	2.4249	1.7722	3.9815	3.0173		2.5110	3.7734
H15	3.4309	2.2401	2.2553	3.3982	1.0895	2.2709	2.5200	3.1253	3.9733	4.2724	2.7592	4.3233	3.7734	2.5110		2.6293
H16	3.4309	2.2401	3.3982	2.2553	2.2709	1.0895	2.5200	3.1253	3.9733	4.2724	4.3233	2.7592	2.5110	3.7734	2.6293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.545	C1	C3	H11	112.176
C1	C3	H14	110.471	C1	C4	C6	104.545
C1	C4	H12	112.176	C1	C4	H13	110.471
C2	C5	C3	117.361	C2	C5	C6	59.957
C2	C5	H15	118.289	C2	C6	C4	117.361
C2	C6	C5	59.957	C2	C6	H16	118.289
C3	C1	C4	105.243	C3	C1	H9	110.164
C3	C1	H10	112.267	C3	C5	C6	108.131
C3	C5	H15	118.491	C4	C1	H9	110.164
C4	C1	H10	112.267	C4	C6	C5	108.131
C4	C6	H16	118.491	C5	C2	C6	60.086
C5	C2	H7	117.020	C5	C2	H8	119.541
C5	C3	H11	113.095	C5	C3	H14	109.131
C5	C6	H16	120.912	C6	C2	H7	117.020
C6	C2	H8	119.541	C6	C4	H12	113.095
C6	C4	H13	109.131	C6	C5	H15	120.912
H7	C2	H8	113.624	H9	C1	H10	106.780
H11	C3	H14	107.414	H12	C4	H13	107.414

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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