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	hartrees
Energy at 0K	-233.923625
Energy at 298.15K
HF Energy	-233.038042
Nuclear repulsion energy	243.810038

Atom	x (Å)	y (Å)	z (Å)
C1	-0.182	1.447	0.000
C2	-0.925	-1.298	0.000
C3	0.290	0.634	1.230
C4	0.290	0.634	-1.230
C5	0.290	-0.815	0.757
C6	0.290	-0.815	-0.757
H7	-1.112	-2.370	0.000
H8	-1.832	-0.696	0.000
H9	-1.275	1.534	0.000
H10	0.217	2.468	0.000
H11	-0.350	0.799	2.107
H12	-0.350	0.799	-2.107
H13	1.314	0.920	-1.511
H14	1.314	0.920	1.511
H15	0.875	-1.546	1.313
H16	0.875	-1.546	-1.313

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8444	1.5479	1.5479	2.4315	2.4315	3.9290	2.7047	1.0969	1.0963	2.2107	2.2107	2.1901	2.1901	3.4345	3.4345
C2	2.8444		2.5932	2.5932	1.5113	1.5113	1.0880	1.0890	2.8536	3.9361	3.0277	3.0277	3.4957	3.4957	2.2423	2.2423
C3	1.5479	2.5932		2.4597	1.5243	2.4590	3.5361	2.7903	2.1845	2.2096	1.0982	3.4015	2.9397	1.0994	2.2582	3.4000
C4	1.5479	2.5932	2.4597		2.4590	1.5243	3.5361	2.7903	2.1845	2.2096	3.4015	1.0982	1.0994	2.9397	3.4000	2.2582
C5	2.4315	1.5113	1.5243	2.4590		1.5136	2.2265	2.2566	2.9222	3.3702	2.1992	3.3487	3.0335	2.1513	1.0888	2.2718
C6	2.4315	1.5113	2.4590	1.5243	1.5136		2.2265	2.2566	2.9222	3.3702	3.3487	2.1992	2.1513	3.0335	2.2718	1.0888
H7	3.9290	1.0880	3.5361	3.5361	2.2265	2.2265		1.8232	3.9074	5.0178	3.8809	3.8809	4.3583	4.3583	2.5205	2.5205
H8	2.7047	1.0890	2.7903	2.7903	2.2566	2.2566	1.8232		2.2979	3.7696	2.9780	2.9780	3.8460	3.8460	3.1269	3.1269
H9	1.0969	2.8536	2.1845	2.1845	2.9222	2.9222	3.9074	2.2979		1.7606	2.4154	2.4154	3.0597	3.0597	3.9786	3.9786
H10	1.0963	3.9361	2.2096	2.2096	3.3702	3.3702	5.0178	3.7696	1.7606		2.7473	2.7473	2.4254	2.4254	4.2742	4.2742
H11	2.2107	3.0277	1.0982	3.4015	2.1992	3.3487	3.8809	2.9780	2.4154	2.7473		4.2135	3.9839	1.7715	2.7615	4.3235
H12	2.2107	3.0277	3.4015	1.0982	3.3487	2.1992	3.8809	2.9780	2.4154	2.7473	4.2135		1.7715	3.9839	4.3235	2.7615
H13	2.1901	3.4957	2.9397	1.0994	3.0335	2.1513	4.3583	3.8460	3.0597	2.4254	3.9839	1.7715		3.0221	3.7748	2.5122
H14	2.1901	3.4957	1.0994	2.9397	2.1513	3.0335	4.3583	3.8460	3.0597	2.4254	1.7715	3.9839	3.0221		2.5122	3.7748
H15	3.4345	2.2423	2.2582	3.4000	1.0888	2.2718	2.5205	3.1269	3.9786	4.2742	2.7615	4.3235	3.7748	2.5122		2.6266
H16	3.4345	2.2423	3.4000	2.2582	2.2718	1.0888	2.5205	3.1269	3.9786	4.2742	4.3235	2.7615	2.5122	3.7748	2.6266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.637	C1	C3	H11	112.208
C1	C3	H14	110.503	C1	C4	C6	104.637
C1	C4	H12	112.208	C1	C4	H13	110.503
C2	C5	C3	117.353	C2	C5	C6	59.951
C2	C5	H15	118.262	C2	C6	C4	117.353
C2	C6	C5	59.951	C2	C6	H16	118.262
C3	C1	C4	105.221	C3	C1	H9	110.203
C3	C1	H10	112.240	C3	C5	C6	108.080
C3	C5	H15	118.628	C4	C1	H9	110.203
C4	C1	H10	112.240	C4	C6	C5	108.080
C4	C6	H16	118.628	C5	C2	C6	60.098
C5	C2	H7	116.930	C5	C2	H8	119.524
C5	C3	H11	112.973	C5	C3	H14	109.081
C5	C6	H16	120.741	C6	C2	H7	116.930
C6	C2	H8	119.524	C6	C4	H12	112.973
C6	C4	H13	109.081	C6	C5	H15	120.741
H7	C2	H8	113.750	H9	C1	H10	106.781
H11	C3	H14	107.431	H12	C4	H13	107.431

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

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

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