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	hartrees
Energy at 0K	-196.533600
Energy at 298.15K	-196.544391
HF Energy	-196.533600
Nuclear repulsion energy	184.905689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3013	10.87
2	A₁	3123	2982	40.13
3	A₁	3040	2904	38.32
4	A₁	1532	1463	1.78
5	A₁	1507	1439	7.49
6	A₁	1430	1366	0.48
7	A₁	1367	1306	1.32
8	A₁	1091	1042	0.31
9	A₁	1049	1002	10.81
10	A₁	957	914	15.63
11	A₁	698	666	2.51
12	A₁	361	345	0.05
13	A₂	3231	3086	0.00
14	A₂	3106	2966	0.00
15	A₂	1490	1423	0.00
16	A₂	1196	1143	0.00
17	A₂	1070	1022	0.00
18	A₂	908	867	0.00
19	A₂	344	329	0.00
20	A₂	192	184	0.00
21	B₁	3150	3008	24.56
22	B₁	3108	2968	61.21
23	B₁	1510	1442	7.25
24	B₁	1480	1413	7.46
25	B₁	1169	1117	5.83
26	B₁	1081	1032	0.87
27	B₁	864	825	7.79
28	B₁	405	387	1.16
29	B₁	227	217	0.03
30	B₂	3244	3098	23.68
31	B₂	3120	2980	16.83
32	B₂	3037	2900	34.76
33	B₂	1493	1426	5.31
34	B₂	1423	1359	12.01
35	B₂	1332	1272	0.31
36	B₂	979	934	0.48
37	B₂	959	915	0.17
38	B₂	809	772	0.03
39	B₂	369	353	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.754	0.000	-1.151
C3	-0.754	0.000	-1.151
C4	0.000	1.271	0.968
C5	0.000	-1.271	0.968
H6	1.259	0.910	-1.449
H7	1.259	-0.910	-1.449
H8	-1.259	-0.910	-1.449
H9	-1.259	0.910	-1.449
H10	-0.884	1.320	1.609
H11	-0.884	-1.320	1.609
H12	0.884	-1.320	1.609
H13	0.884	1.320	1.609
H14	0.000	2.156	0.328
H15	0.000	-2.156	0.328

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5032	1.5032	1.5113	1.5113	2.2296	2.2296	2.2296	2.2296	2.1574	2.1574	2.1574	2.1574	2.1634	2.1634
C2	1.5032		1.5078	2.5827	2.5827	1.0831	1.0831	2.2296	2.2296	3.4703	3.4703	3.0622	3.0622	2.7209	2.7209
C3	1.5032	1.5078		2.5827	2.5827	2.2296	2.2296	1.0831	1.0831	3.0622	3.0622	3.4703	3.4703	2.7209	2.7209
C4	1.5113	2.5827	2.5827		2.5419	2.7489	3.4905	3.4905	2.7489	1.0935	2.8120	2.8120	1.0935	1.0920	3.4862
C5	1.5113	2.5827	2.5827	2.5419		3.4905	2.7489	2.7489	3.4905	2.8120	1.0935	1.0935	2.8120	3.4862	1.0920
H6	2.2296	1.0831	2.2296	2.7489	3.4905		1.8204	3.1078	2.5188	3.7571	4.3500	3.8038	3.1085	2.5092	3.7611
H7	2.2296	1.0831	2.2296	3.4905	2.7489	1.8204		2.5188	3.1078	4.3500	3.7571	3.1085	3.8038	3.7611	2.5092
H8	2.2296	2.2296	1.0831	3.4905	2.7489	3.1078	2.5188		1.8204	3.8038	3.1085	3.7571	4.3500	3.7611	2.5092
H9	2.2296	2.2296	1.0831	2.7489	3.4905	2.5188	3.1078	1.8204		3.1085	3.8038	4.3500	3.7571	2.5092	3.7611
H10	2.1574	3.4703	3.0622	1.0935	2.8120	3.7571	4.3500	3.8038	3.1085		2.6403	3.1776	1.7680	1.7669	3.8088
H11	2.1574	3.4703	3.0622	2.8120	1.0935	4.3500	3.7571	3.1085	3.8038	2.6403		1.7680	3.1776	3.8088	1.7669
H12	2.1574	3.0622	3.4703	2.8120	1.0935	3.8038	3.1085	3.7571	4.3500	3.1776	1.7680		2.6403	3.8088	1.7669
H13	2.1574	3.0622	3.4703	1.0935	2.8120	3.1085	3.8038	4.3500	3.7571	1.7680	3.1776	2.6403		1.7669	3.8088
H14	2.1634	2.7209	2.7209	1.0920	3.4862	2.5092	3.7611	3.7611	2.5092	1.7669	3.8088	3.8088	1.7669		4.3121
H15	2.1634	2.7209	2.7209	3.4862	1.0920	3.7611	2.5092	2.5092	3.7611	3.8088	1.7669	1.7669	3.8088	4.3121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.898	C1	C2	H6	118.194
C1	C2	H7	118.194	C1	C3	C2	59.898
C1	C3	H8	118.194	C1	C3	H9	118.194
C1	C4	H10	110.816	C1	C4	H13	110.816
C1	C4	H14	111.391	C1	C5	H11	110.816
C1	C5	H12	110.816	C1	C5	H15	111.391
C2	C1	C3	60.205	C2	C1	C4	117.912
C2	C1	C5	117.912	C2	C3	H8	117.820
C2	C3	H9	117.820	C3	C1	C4	117.912
C3	C1	C5	117.912	C3	C2	H6	117.820
C3	C2	H7	117.820	C4	C1	C5	114.485
H6	C2	H7	114.364	H8	C3	H9	114.364
H10	C4	H13	107.886	H10	C4	H14	107.894
H11	C5	H12	107.886	H11	C5	H15	107.894
H12	C5	H15	107.894	H13	C4	H14	107.894

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

using model chemistry: wB97X-D/TZVP

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	0.026
2	C	-0.330
3	C	-0.330
4	C	-0.329
5	C	-0.329
6	H	0.145
7	H	0.145
8	H	0.145
9	H	0.145
10	H	0.123
11	H	0.123
12	H	0.123
13	H	0.123
14	H	0.110
15	H	0.110

<r²>	122.264
(<r²>)^1/2	11.057

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

using model chemistry: wB97X-D/TZVP

States and conformations

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