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	hartrees
Energy at 0K	-233.504002
Energy at 298.15K
HF Energy	-232.896833
Nuclear repulsion energy	241.057270

Atom	x (Å)	y (Å)	z (Å)
C1	-0.169	1.470	0.000
C2	-0.936	-1.321	0.000
C3	0.290	0.639	1.249
C4	0.290	0.639	-1.249
C5	0.290	-0.824	0.766
C6	0.290	-0.824	-0.766
H7	-1.127	-2.396	0.000
H8	-1.851	-0.724	0.000
H9	-1.267	1.578	0.000
H10	0.249	2.490	0.000
H11	-0.361	0.806	2.125
H12	-0.361	0.806	-2.125
H13	1.317	0.924	-1.544
H14	1.317	0.924	1.544
H15	0.878	-1.549	1.331
H16	0.878	-1.549	-1.331

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8941	1.5688	1.5688	2.4615	2.4615	3.9830	2.7644	1.1035	1.1023	2.2340	2.2340	2.2113	2.2113	3.4620	3.4620
C2	2.8941		2.6276	2.6276	1.5287	1.5287	1.0922	1.0929	2.9175	3.9906	3.0608	3.0608	3.5352	3.5352	2.2613	2.2613
C3	1.5688	2.6276		2.4980	1.5406	2.4901	3.5750	2.8290	2.2061	2.2330	1.1038	3.4398	2.9891	1.1057	2.2680	3.4338
C4	1.5688	2.6276	2.4980		2.4901	1.5406	3.5750	2.8290	2.2061	2.2330	3.4398	1.1038	1.1057	2.9891	3.4338	2.2680
C5	2.4615	1.5287	1.5406	2.4901		1.5321	2.2509	2.2765	2.9631	3.4011	2.2195	3.3818	3.0732	2.1713	1.0916	2.2953
C6	2.4615	1.5287	2.4901	1.5406	1.5321		2.2509	2.2765	2.9631	3.4011	3.3818	2.2195	2.1713	3.0732	2.2953	1.0916
H7	3.9830	1.0922	3.5750	3.5750	2.2509	2.2509		1.8227	3.9765	5.0760	3.9186	3.9186	4.4022	4.4022	2.5507	2.5507
H8	2.7644	1.0929	2.8290	2.8290	2.2765	2.2765	1.8227		2.3745	3.8392	3.0125	3.0125	3.8906	3.8906	3.1468	3.1468
H9	1.1035	2.9175	2.2061	2.2061	2.9631	2.9631	3.9765	2.3745		1.7697	2.4352	2.4352	3.0804	3.0804	4.0193	4.0193
H10	1.1023	3.9906	2.2330	2.2330	3.4011	3.4011	5.0760	3.8392	1.7697		2.7785	2.7785	2.4442	2.4442	4.2992	4.2992
H11	2.2340	3.0608	1.1038	3.4398	2.2195	3.3818	3.9186	3.0125	2.4352	2.7785		4.2490	4.0356	1.7796	2.7779	4.3616
H12	2.2340	3.0608	3.4398	1.1038	3.3818	2.2195	3.9186	3.0125	2.4352	2.7785	4.2490		1.7796	4.0356	4.3616	2.7779
H13	2.2113	3.5352	2.9891	1.1057	3.0732	2.1713	4.4022	3.8906	3.0804	2.4442	4.0356	1.7796		3.0875	3.8175	2.5215
H14	2.2113	3.5352	1.1057	2.9891	2.1713	3.0732	4.4022	3.8906	3.0804	2.4442	1.7796	4.0356	3.0875		2.5215	3.8175
H15	3.4620	2.2613	2.2680	3.4338	1.0916	2.2953	2.5507	3.1468	4.0193	4.2992	2.7779	4.3616	3.8175	2.5215		2.6610
H16	3.4620	2.2613	3.4338	2.2680	2.2953	1.0916	2.5507	3.1468	4.0193	4.2992	4.3616	2.7779	2.5215	3.8175	2.6610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.673	C1	C3	H11	112.250
C1	C3	H14	110.343	C1	C4	C6	104.673
C1	C4	H12	112.250	C1	C4	H13	110.343
C2	C5	C3	117.765	C2	C5	C6	59.925
C2	C5	H15	118.360	C2	C6	C4	117.765
C2	C6	C5	59.925	C2	C6	H16	118.360
C3	C1	C4	105.528	C3	C1	H9	110.067
C3	C1	H10	112.257	C3	C5	C6	108.268
C3	C5	H15	117.998	C4	C1	H9	110.067
C4	C1	H10	112.257	C4	C6	C5	108.268
C4	C6	H16	117.998	C5	C2	C6	60.150
C5	C2	H7	117.399	C5	C2	H8	119.613
C5	C3	H11	113.100	C5	C3	H14	109.166
C5	C6	H16	121.138	C6	C2	H7	117.399
C6	C2	H8	119.613	C6	C4	H12	113.100
C6	C4	H13	109.166	C6	C5	H15	121.138
H7	C2	H8	113.053	H9	C1	H10	106.704
H11	C3	H14	107.303	H12	C4	H13	107.303

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)