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	hartrees
Energy at 0K	-233.399383
Energy at 298.15K
HF Energy	-232.900155
Nuclear repulsion energy	242.878655

Atom	x (Å)	y (Å)	z (Å)
C1	-0.165	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	-1.120	-2.378	0.000
H8	-1.838	-0.718	0.000
H9	-1.254	1.573	0.000
H10	0.254	2.471	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	1.320
H16	0.871	-1.539	-1.320

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8764	1.5582	1.5582	2.4458	2.4458	3.9568	2.7473	1.0947	1.0936	2.2174	2.2174	2.1955	2.1955	3.4382	3.4382
C2	2.8764		2.6099	2.6099	1.5184	1.5184	1.0838	1.0843	2.9024	3.9639	3.0375	3.0375	3.5106	3.5106	2.2455	2.2455
C3	1.5582	2.6099		2.4818	1.5307	2.4736	3.5500	2.8087	2.1903	2.2165	1.0952	3.4147	2.9709	1.0969	2.2524	3.4098
C4	1.5582	2.6099	2.4818		2.4736	1.5307	3.5500	2.8087	2.1903	2.2165	3.4147	1.0952	1.0969	2.9709	3.4098	2.2524
C5	2.4458	1.5184	1.5307	2.4736		1.5214	2.2348	2.2600	2.9454	3.3767	2.2037	3.3570	3.0531	2.1560	1.0831	2.2783
C6	2.4458	1.5184	2.4736	1.5307	1.5214		2.2348	2.2600	2.9454	3.3767	3.3570	2.2037	2.1560	3.0531	2.2783	1.0831
H7	3.9568	1.0838	3.5500	3.5500	2.2348	2.2348		1.8091	3.9536	5.0408	3.8890	3.8890	4.3706	4.3706	2.5327	2.5327
H8	2.7473	1.0843	2.8087	2.8087	2.2600	2.2600	1.8091		2.3641	3.8144	2.9882	2.9882	3.8621	3.8621	3.1240	3.1240
H9	1.0947	2.9024	2.1903	2.1903	2.9454	2.9454	3.9536	2.3641		1.7560	2.4159	2.4159	3.0570	3.0570	3.9934	3.9934
H10	1.0936	3.9639	2.2165	2.2165	3.3767	3.3767	5.0408	3.8144	1.7560		2.7590	2.7590	2.4252	2.4252	4.2669	4.2669
H11	2.2174	3.0375	1.0952	3.4147	2.2037	3.3570	3.8890	2.9882	2.4159	2.7590		4.2152	4.0083	1.7662	2.7591	4.3294
H12	2.2174	3.0375	3.4147	1.0952	3.3570	2.2037	3.8890	2.9882	2.4159	2.7590	4.2152		1.7662	4.0083	4.3294	2.7591
H13	2.1955	3.5106	2.9709	1.0969	3.0531	2.1560	4.3706	3.8621	3.0570	2.4252	4.0083	1.7662		3.0716	3.7916	2.5031
H14	2.1955	3.5106	1.0969	2.9709	2.1560	3.0531	4.3706	3.8621	3.0570	2.4252	1.7662	4.0083	3.0716		2.5031	3.7916
H15	3.4382	2.2455	2.2524	3.4098	1.0831	2.2783	2.5327	3.1240	3.9934	4.2669	2.7591	4.3294	3.7916	2.5031		2.6407
H16	3.4382	2.2455	3.4098	2.2524	2.2783	1.0831	2.5327	3.1240	3.9934	4.2669	4.3294	2.7591	2.5031	3.7916	2.6407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.703	C1	C3	H11	112.198
C1	C3	H14	110.353	C1	C4	C6	104.703
C1	C4	H12	112.198	C1	C4	H13	110.353
C2	C5	C3	117.730	C2	C5	C6	59.936
C2	C5	H15	118.382	C2	C6	C4	117.730
C2	C6	C5	59.936	C2	C6	H16	118.382
C3	C1	C4	105.566	C3	C1	H9	110.074
C3	C1	H10	112.220	C3	C5	C6	108.283
C3	C5	H15	118.007	C4	C1	H9	110.074
C4	C1	H10	112.220	C4	C6	C5	108.283
C4	C6	H16	118.007	C5	C2	C6	60.128
C5	C2	H7	117.382	C5	C2	H8	119.598
C5	C3	H11	113.072	C5	C3	H14	109.154
C5	C6	H16	121.111	C6	C2	H7	117.382
C6	C2	H8	119.598	C6	C4	H12	113.072
C6	C4	H13	109.154	C6	C5	H15	121.111
H7	C2	H8	113.101	H9	C1	H10	106.727
H11	C3	H14	107.352	H12	C4	H13	107.352

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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