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	hartrees
Energy at 0K	-196.401180
Energy at 298.15K	-196.411984
HF Energy	-196.118391
Nuclear repulsion energy	184.935032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3021	11.23
2	A₁	3115	2989	38.70
3	A₁	3038	2915	40.50
4	A₁	1531	1469	0.00
5	A₁	1515	1454	6.38
6	A₁	1433	1375	0.05
7	A₁	1366	1310	1.55
8	A₁	1093	1049	0.16
9	A₁	1047	1004	10.87
10	A₁	955	916	10.43
11	A₁	691	663	1.50
12	A₁	349	335	0.05
13	A₂	3223	3092	0.00
14	A₂	3095	2969	0.00
15	A₂	1495	1434	0.00
16	A₂	1196	1147	0.00
17	A₂	1074	1030	0.00
18	A₂	906	869	0.00
19	A₂	332	319	0.00
20	A₂	218	209	0.00
21	B₁	3144	3016	23.89
22	B₁	3097	2971	60.41
23	B₁	1513	1451	6.40
24	B₁	1482	1422	4.35
25	B₁	1167	1119	3.94
26	B₁	1080	1036	0.57
27	B₁	860	825	6.91
28	B₁	394	378	0.89
29	B₁	246	236	0.00
30	B₂	3237	3105	23.52
31	B₂	3113	2987	17.10
32	B₂	3034	2911	33.59
33	B₂	1508	1447	4.27
34	B₂	1422	1364	7.75
35	B₂	1332	1278	0.80
36	B₂	980	940	0.36
37	B₂	959	921	0.19
38	B₂	796	763	0.00
39	B₂	357	342	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.756	0.000	-1.150
C3	-0.756	0.000	-1.150
C4	0.000	1.270	0.967
C5	0.000	-1.270	0.967
H6	1.261	0.908	-1.446
H7	1.261	-0.908	-1.446
H8	-1.261	-0.908	-1.446
H9	-1.261	0.908	-1.446
H10	-0.882	1.322	1.608
H11	-0.882	-1.322	1.608
H12	0.882	-1.322	1.608
H13	0.882	1.322	1.608
H14	0.000	2.152	0.326
H15	0.000	-2.152	0.326

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5047	1.5047	1.5096	1.5096	2.2283	2.2283	2.2283	2.2283	2.1556	2.1556	2.1556	2.1556	2.1587	2.1587
C2	1.5047		1.5110	2.5820	2.5820	1.0804	1.0804	2.2314	2.2314	3.4692	3.4692	3.0610	3.0610	2.7167	2.7167
C3	1.5047	1.5110		2.5820	2.5820	2.2314	2.2314	1.0804	1.0804	3.0610	3.0610	3.4692	3.4692	2.7167	2.7167
C4	1.5096	2.5820	2.5820		2.5403	2.7467	3.4865	3.4865	2.7467	1.0915	2.8117	2.8117	1.0915	1.0896	3.4812
C5	1.5096	2.5820	2.5820	2.5403		3.4865	2.7467	2.7467	3.4865	2.8117	1.0915	1.0915	2.8117	3.4812	1.0896
H6	2.2283	1.0804	2.2314	2.7467	3.4865		1.8153	3.1080	2.5228	3.7538	4.3461	3.7999	3.1050	2.5059	3.7538
H7	2.2283	1.0804	2.2314	3.4865	2.7467	1.8153		2.5228	3.1080	4.3461	3.7538	3.1050	3.7999	3.7538	2.5059
H8	2.2283	2.2314	1.0804	3.4865	2.7467	3.1080	2.5228		1.8153	3.7999	3.1050	3.7538	4.3461	3.7538	2.5059
H9	2.2283	2.2314	1.0804	2.7467	3.4865	2.5228	3.1080	1.8153		3.1050	3.7999	4.3461	3.7538	2.5059	3.7538
H10	2.1556	3.4692	3.0610	1.0915	2.8117	3.7538	4.3461	3.7999	3.1050		2.6431	3.1776	1.7639	1.7633	3.8056
H11	2.1556	3.4692	3.0610	2.8117	1.0915	4.3461	3.7538	3.1050	3.7999	2.6431		1.7639	3.1776	3.8056	1.7633
H12	2.1556	3.0610	3.4692	2.8117	1.0915	3.7999	3.1050	3.7538	4.3461	3.1776	1.7639		2.6431	3.8056	1.7633
H13	2.1556	3.0610	3.4692	1.0915	2.8117	3.1050	3.7999	4.3461	3.7538	1.7639	3.1776	2.6431		1.7633	3.8056
H14	2.1587	2.7167	2.7167	1.0896	3.4812	2.5059	3.7538	3.7538	2.5059	1.7633	3.8056	3.8056	1.7633		4.3032
H15	2.1587	2.7167	2.7167	3.4812	1.0896	3.7538	2.5059	2.5059	3.7538	3.8056	1.7633	1.7633	3.8056	4.3032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.862	C1	C2	H6	118.149
C1	C2	H7	118.149	C1	C3	C2	59.862
C1	C3	H8	118.149	C1	C3	H9	118.149
C1	C4	H10	110.914	C1	C4	H13	110.914
C1	C4	H14	111.275	C1	C5	H11	110.914
C1	C5	H12	110.914	C1	C5	H15	111.275
C2	C1	C3	60.277	C2	C1	C4	117.866
C2	C1	C5	117.866	C2	C3	H8	117.921
C2	C3	H9	117.921	C3	C1	C4	117.866
C3	C1	C5	117.866	C3	C2	H6	117.921
C3	C2	H7	117.921	C4	C1	C5	114.569
H6	C2	H7	114.312	H8	C3	H9	114.312
H10	C4	H13	107.814	H10	C4	H14	107.888
H11	C5	H12	107.814	H11	C5	H15	107.888
H12	C5	H15	107.888	H13	C4	H14	107.888

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

using model chemistry: B2PLYP/cc-pVTZ

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	0.163
2	C	-0.268
3	C	-0.268
4	C	-0.305
5	C	-0.305
6	H	0.106
7	H	0.106
8	H	0.106
9	H	0.106
10	H	0.096
11	H	0.096
12	H	0.096
13	H	0.096
14	H	0.088
15	H	0.088

<r²>	122.493
(<r²>)^1/2	11.068

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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