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	hartrees
Energy at 0K	-196.538752
Energy at 298.15K	-196.549520
HF Energy	-196.538752
Nuclear repulsion energy	185.109166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3015	10.37
2	A₁	3116	2980	40.75
3	A₁	3036	2904	39.23
4	A₁	1530	1463	1.70
5	A₁	1502	1436	6.62
6	A₁	1427	1365	0.51
7	A₁	1366	1307	1.77
8	A₁	1090	1042	0.22
9	A₁	1044	999	8.94
10	A₁	957	916	14.60
11	A₁	698	668	2.07
12	A₁	358	342	0.04
13	A₂	3225	3085	0.00
14	A₂	3099	2964	0.00
15	A₂	1487	1423	0.00
16	A₂	1195	1144	0.00
17	A₂	1069	1022	0.00
18	A₂	904	865	0.00
19	A₂	343	328	0.00
20	A₂	185	177	0.00
21	B₁	3145	3009	25.03
22	B₁	3101	2966	59.82
23	B₁	1508	1442	7.06
24	B₁	1479	1415	6.89
25	B₁	1169	1118	4.96
26	B₁	1079	1032	0.46
27	B₁	867	829	7.07
28	B₁	406	389	0.95
29	B₁	220	211	0.01
30	B₂	3239	3098	24.44
31	B₂	3113	2978	16.24
32	B₂	3033	2901	35.66
33	B₂	1487	1422	4.62
34	B₂	1420	1358	11.06
35	B₂	1329	1272	0.32
36	B₂	976	934	0.45
37	B₂	957	915	0.17
38	B₂	805	770	0.00
39	B₂	365	349	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.753	0.000	-1.149
C3	-0.753	0.000	-1.149
C4	0.000	1.270	0.967
C5	0.000	-1.270	0.967
H6	1.258	0.909	-1.447
H7	1.258	-0.909	-1.447
H8	-1.258	-0.909	-1.447
H9	-1.258	0.909	-1.447
H10	-0.883	1.319	1.608
H11	-0.883	-1.319	1.608
H12	0.883	-1.319	1.608
H13	0.883	1.319	1.608
H14	0.000	2.153	0.328
H15	0.000	-2.153	0.328

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5017	1.5017	1.5098	1.5098	2.2268	2.2268	2.2268	2.2268	2.1551	2.1551	2.1551	2.1551	2.1608	2.1608
C2	1.5017		1.5065	2.5801	2.5801	1.0814	1.0814	2.2270	2.2270	3.4667	3.4667	3.0591	3.0591	2.7179	2.7179
C3	1.5017	1.5065		2.5801	2.5801	2.2270	2.2270	1.0814	1.0814	3.0591	3.0591	3.4667	3.4667	2.7179	2.7179
C4	1.5098	2.5801	2.5801		2.5392	2.7458	3.4865	3.4865	2.7458	1.0921	2.8087	2.8087	1.0921	1.0906	3.4822
C5	1.5098	2.5801	2.5801	2.5392		3.4865	2.7458	2.7458	3.4865	2.8087	1.0921	1.0921	2.8087	3.4822	1.0906
H6	2.2268	1.0814	2.2270	2.7458	3.4865		1.8178	3.1037	2.5157	3.7529	4.3449	3.7996	3.1053	2.5064	3.7565
H7	2.2268	1.0814	2.2270	3.4865	2.7458	1.8178		2.5157	3.1037	4.3449	3.7529	3.1053	3.7996	3.7565	2.5064
H8	2.2268	2.2270	1.0814	3.4865	2.7458	3.1037	2.5157		1.8178	3.7996	3.1053	3.7529	4.3449	3.7565	2.5064
H9	2.2268	2.2270	1.0814	2.7458	3.4865	2.5157	3.1037	1.8178		3.1053	3.7996	4.3449	3.7529	2.5064	3.7565
H10	2.1551	3.4667	3.0591	1.0921	2.8087	3.7529	4.3449	3.7996	3.1053		2.6371	3.1735	1.7654	1.7650	3.8043
H11	2.1551	3.4667	3.0591	2.8087	1.0921	4.3449	3.7529	3.1053	3.7996	2.6371		1.7654	3.1735	3.8043	1.7650
H12	2.1551	3.0591	3.4667	2.8087	1.0921	3.7996	3.1053	3.7529	4.3449	3.1735	1.7654		2.6371	3.8043	1.7650
H13	2.1551	3.0591	3.4667	1.0921	2.8087	3.1053	3.7996	4.3449	3.7529	1.7654	3.1735	2.6371		1.7650	3.8043
H14	2.1608	2.7179	2.7179	1.0906	3.4822	2.5064	3.7565	3.7565	2.5064	1.7650	3.8043	3.8043	1.7650		4.3069
H15	2.1608	2.7179	2.7179	3.4822	1.0906	3.7565	2.5064	2.5064	3.7565	3.8043	1.7650	1.7650	3.8043	4.3069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.893	C1	C2	H6	118.189
C1	C2	H7	118.189	C1	C3	C2	59.893
C1	C3	H8	118.189	C1	C3	H9	118.189
C1	C4	H10	110.821	C1	C4	H13	110.821
C1	C4	H14	111.376	C1	C5	H11	110.821
C1	C5	H12	110.821	C1	C5	H15	111.376
C2	C1	C3	60.214	C2	C1	C4	117.914
C2	C1	C5	117.914	C2	C3	H8	117.813
C2	C3	H9	117.813	C3	C1	C4	117.914
C3	C1	C5	117.914	C3	C2	H6	117.813
C3	C2	H7	117.813	C4	C1	C5	114.475
H6	C2	H7	114.381	H8	C3	H9	114.381
H10	C4	H13	107.848	H10	C4	H14	107.916
H11	C5	H12	107.848	H11	C5	H15	107.916
H12	C5	H15	107.916	H13	C4	H14	107.916

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

using model chemistry: wB97X-D/aug-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	1.357
2	C	-0.969
3	C	-0.969
4	C	-1.067
5	C	-1.067
6	H	0.273
7	H	0.273
8	H	0.273
9	H	0.273
10	H	0.255
11	H	0.255
12	H	0.255
13	H	0.255
14	H	0.303
15	H	0.303

<r²>	122.061
(<r²>)^1/2	11.048

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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