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	hartrees
Energy at 0K	-196.469215
Energy at 298.15K	-196.479991
HF Energy	-196.469215
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3008	12.06
2	A₁	3137	2976	41.74
3	A₁	3055	2897	37.47
4	A₁	1557	1476	1.02
5	A₁	1535	1456	5.30
6	A₁	1457	1382	0.01
7	A₁	1383	1312	1.63
8	A₁	1107	1050	1.02
9	A₁	1062	1008	7.66
10	A₁	969	919	14.08
11	A₁	702	666	1.79
12	A₁	360	341	0.01
13	A₂	3245	3078	0.00
14	A₂	3122	2962	0.00
15	A₂	1519	1440	0.00
16	A₂	1208	1146	0.00
17	A₂	1082	1026	0.00
18	A₂	916	868	0.00
19	A₂	342	324	0.00
20	A₂	199	189	0.00
21	B₁	3166	3003	25.28
22	B₁	3125	2964	62.96
23	B₁	1539	1460	6.34
24	B₁	1504	1426	4.29
25	B₁	1183	1122	6.90
26	B₁	1090	1034	1.08
27	B₁	876	831	6.44
28	B₁	403	382	1.10
29	B₁	233	221	0.06
30	B₂	3258	3090	26.30
31	B₂	3135	2973	17.55
32	B₂	3051	2894	35.85
33	B₂	1522	1443	5.14
34	B₂	1449	1375	8.86
35	B₂	1346	1276	0.82
36	B₂	988	937	0.49
37	B₂	967	918	0.46
38	B₂	809	767	0.07
39	B₂	367	348	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.755	0.000	-1.155
C3	-0.755	0.000	-1.155
C4	0.000	1.274	0.971
C5	0.000	-1.274	0.971
H6	1.263	0.912	-1.455
H7	1.263	-0.912	-1.455
H8	-1.263	-0.912	-1.455
H9	-1.263	0.912	-1.455
H10	-0.886	1.325	1.615
H11	-0.886	-1.325	1.615
H12	0.886	-1.325	1.615
H13	0.886	1.325	1.615
H14	0.000	2.164	0.331
H15	0.000	-2.164	0.331

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5073	1.5073	1.5159	1.5159	2.2370	2.2370	2.2370	2.2370	2.1650	2.1650	2.1650	2.1650	2.1711	2.1711
C2	1.5073		1.5094	2.5908	2.5908	1.0867	1.0867	2.2348	2.2348	3.4815	3.4815	3.0733	3.0733	2.7310	2.7310
C3	1.5073	1.5094		2.5908	2.5908	2.2348	2.2348	1.0867	1.0867	3.0733	3.0733	3.4815	3.4815	2.7310	2.7310
C4	1.5159	2.5908	2.5908		2.5485	2.7592	3.5018	3.5018	2.7592	1.0968	2.8204	2.8204	1.0968	1.0955	3.4968
C5	1.5159	2.5908	2.5908	2.5485		3.5018	2.7592	2.7592	3.5018	2.8204	1.0968	1.0968	2.8204	3.4968	1.0955
H6	2.2370	1.0867	2.2348	2.7592	3.5018		1.8245	3.1163	2.5264	3.7706	4.3648	3.8175	3.1208	2.5204	3.7745
H7	2.2370	1.0867	2.2348	3.5018	2.7592	1.8245		2.5264	3.1163	4.3648	3.7706	3.1208	3.8175	3.7745	2.5204
H8	2.2370	2.2348	1.0867	3.5018	2.7592	3.1163	2.5264		1.8245	3.8175	3.1208	3.7706	4.3648	3.7745	2.5204
H9	2.2370	2.2348	1.0867	2.7592	3.5018	2.5264	3.1163	1.8245		3.1208	3.8175	4.3648	3.7706	2.5204	3.7745
H10	2.1650	3.4815	3.0733	1.0968	2.8204	3.7706	4.3648	3.8175	3.1208		2.6493	3.1876	1.7725	1.7714	3.8212
H11	2.1650	3.4815	3.0733	2.8204	1.0968	4.3648	3.7706	3.1208	3.8175	2.6493		1.7725	3.1876	3.8212	1.7714
H12	2.1650	3.0733	3.4815	2.8204	1.0968	3.8175	3.1208	3.7706	4.3648	3.1876	1.7725		2.6493	3.8212	1.7714
H13	2.1650	3.0733	3.4815	1.0968	2.8204	3.1208	3.8175	4.3648	3.7706	1.7725	3.1876	2.6493		1.7714	3.8212
H14	2.1711	2.7310	2.7310	1.0955	3.4968	2.5204	3.7745	3.7745	2.5204	1.7714	3.8212	3.8212	1.7714		4.3270
H15	2.1711	2.7310	2.7310	3.4968	1.0955	3.7745	2.5204	2.5204	3.7745	3.8212	1.7714	1.7714	3.8212	4.3270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.953	C1	C2	H6	118.265
C1	C2	H7	118.265	C1	C3	C2	59.953
C1	C3	H8	118.265	C1	C3	H9	118.265
C1	C4	H10	110.904	C1	C4	H13	110.904
C1	C4	H14	111.469	C1	C5	H11	110.904
C1	C5	H12	110.904	C1	C5	H15	111.469
C2	C1	C3	60.094	C2	C1	C4	117.961
C2	C1	C5	117.961	C2	C3	H8	117.898
C2	C3	H9	117.898	C3	C1	C4	117.961
C3	C1	C5	117.961	C3	C2	H6	117.898
C3	C2	H7	117.898	C4	C1	C5	114.407
H6	C2	H7	114.162	H8	C3	H9	114.162
H10	C4	H13	107.805	H10	C4	H14	107.801
H11	C5	H12	107.805	H11	C5	H15	107.801
H12	C5	H15	107.801	H13	C4	H14	107.801

All results from a given calculation for C₅H₁₀ (Cyclopropane, 1,1-dimethyl-)

using model chemistry: wB97X-D/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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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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Number	Element	Mulliken
1	C	0.104
2	C	-0.367
3	C	-0.367
4	C	-0.504
5	C	-0.504
6	H	0.169
7	H	0.169
8	H	0.169
9	H	0.169
10	H	0.162
11	H	0.162
12	H	0.162
13	H	0.162
14	H	0.157
15	H	0.157

<r²>	122.518
(<r²>)^1/2	11.069

All results from a given calculation for C5H10 (Cyclopropane, 1,1-dimethyl-)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopropane, 1,1-dimethyl-)