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	hartrees
Energy at 0K	-234.532244
Energy at 298.15K
HF Energy	-234.532244
Nuclear repulsion energy	244.701024

Atom	x (Å)	y (Å)	z (Å)
C1	-0.187	1.439	0.000
C2	-0.921	-1.289	0.000
C3	0.291	0.632	1.225
C4	0.291	0.632	-1.225
C5	0.291	-0.814	0.753
C6	0.291	-0.814	-0.753
H7	-1.111	-2.358	0.000
H8	-1.821	-0.679	0.000
H9	-1.279	1.514	0.000
H10	0.200	2.462	0.000
H11	-0.346	0.797	2.101
H12	-0.346	0.797	-2.101
H13	1.313	0.919	-1.499
H14	1.313	0.919	1.499
H15	0.870	-1.544	1.310
H16	0.870	-1.544	-1.310

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8257	1.5435	1.5435	2.4231	2.4231	3.9078	2.6751	1.0944	1.0932	2.2027	2.2027	2.1840	2.1840	3.4251	3.4251
C2	2.8257		2.5809	2.5809	1.5039	1.5039	1.0850	1.0875	2.8259	3.9150	3.0159	3.0159	3.4804	3.4804	2.2331	2.2331
C3	1.5435	2.5809		2.4509	1.5206	2.4502	3.5220	2.7711	2.1781	2.2040	1.0953	3.3908	2.9243	1.0963	2.2527	3.3905
C4	1.5435	2.5809	2.4509		2.4502	1.5206	3.5220	2.7711	2.1781	2.2040	3.3908	1.0953	1.0963	2.9243	3.3905	2.2527
C5	2.4231	1.5039	1.5206	2.4502		1.5062	2.2174	2.2459	2.9065	3.3618	2.1945	3.3383	3.0197	2.1452	1.0855	2.2637
C6	2.4231	1.5039	2.4502	1.5206	1.5062		2.2174	2.2459	2.9065	3.3618	3.3383	2.1945	2.1452	3.0197	2.2637	1.0855
H7	3.9078	1.0850	3.5220	3.5220	2.2174	2.2174		1.8224	3.8749	4.9945	3.8664	3.8664	4.3426	4.3426	2.5106	2.5106
H8	2.6751	1.0875	2.7711	2.7711	2.2459	2.2459	1.8224		2.2585	3.7347	2.9607	2.9607	3.8237	3.8237	3.1149	3.1149
H9	1.0944	2.8259	2.1781	2.1781	2.9065	2.9065	3.8749	2.2585		1.7571	2.4079	2.4079	3.0530	3.0530	3.9599	3.9599
H10	1.0932	3.9150	2.2040	2.2040	3.3618	3.3618	4.9945	3.7347	1.7571		2.7357	2.7357	2.4221	2.4221	4.2668	4.2668
H11	2.2027	3.0159	1.0953	3.3908	2.1945	3.3383	3.8664	2.9607	2.4079	2.7357		4.2018	3.9661	1.7692	2.7535	4.3116
H12	2.2027	3.0159	3.3908	1.0953	3.3383	2.1945	3.8664	2.9607	2.4079	2.7357	4.2018		1.7692	3.9661	4.3116	2.7535
H13	2.1840	3.4804	2.9243	1.0963	3.0197	2.1452	4.3426	3.8237	3.0530	2.4221	3.9661	1.7692		2.9987	3.7618	2.5089
H14	2.1840	3.4804	1.0963	2.9243	2.1452	3.0197	4.3426	3.8237	3.0530	2.4221	1.7692	3.9661	2.9987		2.5089	3.7618
H15	3.4251	2.2331	2.2527	3.3905	1.0855	2.2637	2.5106	3.1149	3.9599	4.2668	2.7535	4.3116	3.7618	2.5089		2.6199
H16	3.4251	2.2331	3.3905	2.2527	2.2637	1.0855	2.5106	3.1149	3.9599	4.2668	4.3116	2.7535	2.5089	3.7618	2.6199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.520	C1	C3	H11	112.060
C1	C3	H14	110.502	C1	C4	C6	104.520
C1	C4	H12	112.060	C1	C4	H13	110.502
C2	C5	C3	117.150	C2	C5	C6	59.949
C2	C5	H15	118.284	C2	C6	C4	117.150
C2	C6	C5	59.949	C2	C6	H16	118.284
C3	C1	C4	105.106	C3	C1	H9	110.153
C3	C1	H10	112.295	C3	C5	C6	108.097
C3	C5	H15	118.679	C4	C1	H9	110.153
C4	C1	H10	112.295	C4	C6	C5	108.097
C4	C6	H16	118.679	C5	C2	C6	60.101
C5	C2	H7	116.931	C5	C2	H8	119.286
C5	C3	H11	113.043	C5	C3	H14	109.044
C5	C6	H16	120.866	C6	C2	H7	116.931
C6	C2	H8	119.286	C6	C4	H12	113.043
C6	C4	H13	109.044	C6	C5	H15	120.866
H7	C2	H8	114.039	H9	C1	H10	106.879
H11	C3	H14	107.654	H12	C4	H13	107.654

Number	Element	Mulliken
1	C	-0.335
2	C	-0.374
3	C	-0.388
4	C	-0.388
5	C	-0.042
6	C	-0.042
7	H	0.160
8	H	0.150
9	H	0.157
10	H	0.160
11	H	0.159
12	H	0.159
13	H	0.157
14	H	0.157
15	H	0.154
16	H	0.154

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

using model chemistry: M06-2X/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	0.190	0.086	0.000	0.208
CHELPG
AIM
ESP

	x	y	z
x	8.933	0.321	0.000
y	0.321	9.808	0.000
z	0.000	0.000	9.662

<r²>	141.674
(<r²>)^1/2	11.903

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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