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	hartrees
Energy at 0K	-233.855381
Energy at 298.15K
HF Energy	-233.015231
Nuclear repulsion energy	243.657455

Atom	x (Å)	y (Å)	z (Å)
C1	-0.207	1.434	0.000
C2	-0.924	-1.297	0.000
C3	0.296	0.638	1.224
C4	0.296	0.638	-1.224
C5	0.296	-0.813	0.762
C6	0.296	-0.813	-0.762
H7	-1.105	-2.375	0.000
H8	-1.830	-0.683	0.000
H9	-1.309	1.472	0.000
H10	0.148	2.478	0.000
H11	-0.326	0.811	2.120
H12	-0.326	0.811	-2.120
H13	1.332	0.934	-1.474
H14	1.332	0.934	1.474
H15	0.880	-1.552	1.319
H16	0.880	-1.552	-1.319

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8235	1.5447	1.5447	2.4255	2.4255	3.9138	2.6675	1.1032	1.1023	2.2131	2.2131	2.1882	2.1882	3.4407	3.4407
C2	2.8235		2.5939	2.5939	1.5170	1.5170	1.0935	1.0948	2.7955	3.9238	3.0492	3.0492	3.4976	3.4976	2.2490	2.2490
C3	1.5447	2.5939		2.4487	1.5229	2.4595	3.5411	2.7859	2.1845	2.2154	1.1043	3.4065	2.9051	1.1056	2.2682	3.4068
C4	1.5447	2.5939	2.4487		2.4595	1.5229	3.5411	2.7859	2.1845	2.2154	3.4065	1.1043	1.1056	2.9051	3.4068	2.2682
C5	2.4255	1.5170	1.5229	2.4595		1.5232	2.2324	2.2620	2.8947	3.3814	2.2073	3.3663	3.0201	2.1522	1.0944	2.2841
C6	2.4255	1.5170	2.4595	1.5229	1.5232		2.2324	2.2620	2.8947	3.3814	3.3663	2.2073	2.1522	3.0201	2.2841	1.0944
H7	3.9138	1.0935	3.5411	3.5411	2.2324	2.2324		1.8410	3.8525	5.0122	3.9061	3.9061	4.3658	4.3658	2.5218	2.5218
H8	2.6675	1.0948	2.7859	2.7859	2.2620	2.2620	1.8410		2.2167	3.7282	2.9984	2.9984	3.8445	3.8445	3.1367	3.1367
H9	1.1032	2.7955	2.1845	2.1845	2.8947	2.8947	3.8525	2.2167		1.7702	2.4289	2.4289	3.0717	3.0717	3.9595	3.9595
H10	1.1023	3.9238	2.2154	2.2154	3.3814	3.3814	5.0122	3.7282	1.7702		2.7381	2.7381	2.4409	2.4409	4.3032	4.3032
H11	2.2131	3.0492	1.1043	3.4065	2.2073	3.3663	3.9061	2.9984	2.4289	2.7381		4.2408	3.9597	1.7832	2.7714	4.3440
H12	2.2131	3.0492	3.4065	1.1043	3.3663	2.2073	3.9061	2.9984	2.4289	2.7381	4.2408		1.7832	3.9597	4.3440	2.7714
H13	2.1882	3.4976	2.9051	1.1056	3.0201	2.1522	4.3658	3.8445	3.0717	2.4409	3.9597	1.7832		2.9473	3.7663	2.5313
H14	2.1882	3.4976	1.1056	2.9051	2.1522	3.0201	4.3658	3.8445	3.0717	2.4409	1.7832	3.9597	2.9473		2.5313	3.7663
H15	3.4407	2.2490	2.2682	3.4068	1.0944	2.2841	2.5218	3.1367	3.9595	4.3032	2.7714	4.3440	3.7663	2.5313		2.6387
H16	3.4407	2.2490	3.4068	2.2682	2.2841	1.0944	2.5218	3.1367	3.9595	4.3032	4.3440	2.7714	2.5313	3.7663	2.6387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.500	C1	C3	H11	112.260
C1	C3	H14	110.204	C1	C4	C6	104.500
C1	C4	H12	112.260	C1	C4	H13	110.204
C2	C5	C3	117.144	C2	C5	C6	59.865
C2	C5	H15	118.004	C2	C6	C4	117.144
C2	C6	C5	59.865	C2	C6	H16	118.004
C3	C1	C4	104.864	C3	C1	H9	110.054
C3	C1	H10	112.567	C3	C5	C6	107.690
C3	C5	H15	119.229	C4	C1	H9	110.054
C4	C1	H10	112.567	C4	C6	C5	107.690
C4	C6	H16	119.229	C5	C2	C6	60.270
C5	C2	H7	116.616	C5	C2	H8	119.125
C5	C3	H11	113.357	C5	C3	H14	108.890
C5	C6	H16	120.638	C6	C2	H7	116.616
C6	C2	H8	119.125	C6	C4	H12	113.357
C6	C4	H13	108.890	C6	C5	H15	120.638
H7	C2	H8	114.553	H9	C1	H10	106.769
H11	C3	H14	107.591	H12	C4	H13	107.591

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

using model chemistry: MP2/cc-pVDZ

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: MP2/cc-pVDZ

States and conformations

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