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	hartrees
Energy at 0K	-233.024545
Energy at 298.15K
HF Energy	-233.024545
Nuclear repulsion energy	244.663943

Atom	x (Å)	y (Å)	z (Å)
C1	-0.167	1.452	0.000
C2	-0.922	-1.302	0.000
C3	0.285	0.632	1.226
C4	0.285	0.632	-1.226
C5	0.285	-0.814	0.752
C6	0.285	-0.814	-0.752
H7	-1.099	-2.369	0.000
H8	-1.829	-0.711	0.000
H9	-1.252	1.561	0.000
H10	0.251	2.458	0.000
H11	-0.356	0.800	2.094
H12	-0.356	0.800	-2.094
H13	1.303	0.909	-1.512
H14	1.303	0.909	1.512
H15	0.863	-1.538	1.310
H16	0.863	-1.538	-1.310

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8554	1.5429	1.5429	2.4295	2.4295	3.9325	2.7273	1.0899	1.0896	2.2008	2.2008	2.1777	2.1777	3.4228	3.4228
C2	2.8554		2.5886	2.5886	1.5039	1.5039	1.0814	1.0820	2.8818	3.9387	3.0201	3.0201	3.4818	3.4818	2.2266	2.2266
C3	1.5429	2.5886		2.4522	1.5213	2.4500	3.5245	2.7884	2.1745	2.1999	1.0914	3.3851	2.9344	1.0924	2.2471	3.3870
C4	1.5429	2.5886	2.4522		2.4500	1.5213	3.5245	2.7884	2.1745	2.1999	3.3851	1.0914	1.0924	2.9344	3.3870	2.2471
C5	2.4295	1.5039	1.5213	2.4500		1.5039	2.2133	2.2460	2.9268	3.3572	2.1940	3.3332	3.0213	2.1399	1.0814	2.2601
C6	2.4295	1.5039	2.4500	1.5213	1.5039		2.2133	2.2460	2.9268	3.3572	3.3332	2.1940	2.1399	3.0213	2.2601	1.0814
H7	3.9325	1.0814	3.5245	3.5245	2.2133	2.2133		1.8114	3.9328	5.0119	3.8697	3.8697	4.3352	4.3352	2.5007	2.5007
H8	2.7273	1.0820	2.7884	2.7884	2.2460	2.2460	1.8114		2.3442	3.7905	2.9724	2.9724	3.8360	3.8360	3.1055	3.1055
H9	1.0899	2.8818	2.1745	2.1745	2.9268	2.9268	3.9328	2.3442		1.7499	2.4011	2.4011	3.0392	3.0392	3.9737	3.9737
H10	1.0896	3.9387	2.1999	2.1999	3.3572	3.3572	5.0119	3.7905	1.7499		2.7387	2.7387	2.4071	2.4071	4.2495	4.2495
H11	2.2008	3.0201	1.0914	3.3851	2.1940	3.3332	3.8697	2.9724	2.4011	2.7387		4.1870	3.9704	1.7604	2.7504	4.3048
H12	2.2008	3.0201	3.3851	1.0914	3.3332	2.1940	3.8697	2.9724	2.4011	2.7387	4.1870		1.7604	3.9704	4.3048	2.7504
H13	2.1777	3.4818	2.9344	1.0924	3.0213	2.1399	4.3352	3.8360	3.0392	2.4071	3.9704	1.7604		3.0248	3.7606	2.4940
H14	2.1777	3.4818	1.0924	2.9344	2.1399	3.0213	4.3352	3.8360	3.0392	2.4071	1.7604	3.9704	3.0248		2.4940	3.7606
H15	3.4228	2.2266	2.2471	3.3870	1.0814	2.2601	2.5007	3.1055	3.9737	4.2495	2.7504	4.3048	3.7606	2.4940		2.6190
H16	3.4228	2.2266	3.3870	2.2471	2.2601	1.0814	2.5007	3.1055	3.9737	4.2495	4.3048	2.7504	2.4940	3.7606	2.6190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.908	C1	C3	H11	112.190
C1	C3	H14	110.286	C1	C4	C6	104.908
C1	C4	H12	112.190	C1	C4	H13	110.286
C2	C5	C3	117.667	C2	C5	C6	60.000
C2	C5	H15	117.993	C2	C6	C4	117.667
C2	C6	C5	60.000	C2	C6	H16	117.993
C3	C1	C4	105.256	C3	C1	H9	110.181
C3	C1	H10	112.224	C3	C5	C6	108.161
C3	C5	H15	118.406	C4	C1	H9	110.181
C4	C1	H10	112.224	C4	C6	C5	108.161
C4	C6	H16	118.406	C5	C2	C6	60.000
C5	C2	H7	116.825	C5	C2	H8	119.689
C5	C3	H11	113.194	C5	C3	H14	108.805
C5	C6	H16	121.036	C6	C2	H7	116.825
C6	C2	H8	119.689	C6	C4	H12	113.194
C6	C4	H13	108.805	C6	C5	H15	121.036
H7	C2	H8	113.712	H9	C1	H10	106.818
H11	C3	H14	107.430	H12	C4	H13	107.430

Number	Element	Mulliken
1	C	0.268
2	C	0.809
3	C	0.410
4	C	0.410
5	C	0.297
6	C	0.297
7	H	-0.401
8	H	-0.409
9	H	-0.209
10	H	-0.162
11	H	-0.107
12	H	-0.107
13	H	-0.139
14	H	-0.139
15	H	-0.409
16	H	-0.409

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

using model chemistry: HF/aug-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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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
	0.184	0.066	0.000	0.195
CHELPG
AIM
ESP

	x	y	z
x	8.821	0.338	0.000
y	0.338	9.780	0.000
z	0.000	0.000	9.635

<r²>	142.086
(<r²>)^1/2	11.920

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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