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	hartrees
Energy at 0K	-196.505039
Energy at 298.15K	-196.515835
Nuclear repulsion energy	184.517497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3022	13.32
2	A	3134	3004	37.15
3	A	3043	2916	44.00
4	A	1521	1458	1.06
5	A	1488	1426	6.97
6	A	1413	1354	0.47
7	A	1363	1306	1.15
8	A	1096	1050	0.10
9	A	1029	986	7.91
10	A	967	927	14.42
11	A	706	676	1.81
12	A	353	338	0.04
13	A	3235	3100	0.00
14	A	3112	2982	0.00
15	A	1460	1399	0.00
16	A	1177	1128	0.00
17	A	1055	1011	0.00
18	A	887	850	0.00
19	A	332	318	0.00
20	A	215	206	0.00
21	A	3148	3017	26.14
22	A	3114	2984	61.66
23	A	1482	1420	6.52
24	A	1457	1396	6.80
25	A	1149	1101	4.25
26	A	1056	1012	0.65
27	A	870	834	5.89
28	A	393	377	0.95
29	A	246	236	0.00
30	A	3249	3113	24.59
31	A	3132	3002	17.13
32	A	3039	2912	36.65
33	A	1477	1415	3.96
34	A	1405	1346	10.58
35	A	1326	1271	0.13
36	A	969	928	0.76
37	A	955	915	0.05
38	A	786	754	0.00
39	A	364	349	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.755	0.000	-1.152
C3	-0.755	0.000	-1.152
C4	0.000	1.271	0.968
C5	0.000	-1.271	0.968
H6	1.264	0.915	-1.451
H7	1.264	-0.915	-1.451
H8	-1.264	-0.915	-1.451
H9	-1.264	0.915	-1.451
H10	-0.888	1.323	1.614
H11	-0.888	-1.323	1.614
H12	0.888	-1.323	1.614
H13	0.888	1.323	1.614
H14	0.000	2.160	0.324
H15	0.000	-2.160	0.324

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5061	1.5061	1.5109	1.5109	2.2367	2.2367	2.2367	2.2367	2.1627	2.1627	2.1627	2.1627	2.1667	2.1667
C2	1.5061		1.5107	2.5843	2.5843	1.0889	1.0889	2.2368	2.2368	3.4782	3.4782	3.0683	3.0683	2.7228	2.7228
C3	1.5061	1.5107		2.5843	2.5843	2.2368	2.2368	1.0889	1.0889	3.0683	3.0683	3.4782	3.4782	2.7228	2.7228
C4	1.5109	2.5843	2.5843		2.5426	2.7524	3.4971	3.4971	2.7524	1.0992	2.8171	2.8171	1.0992	1.0970	3.4909
C5	1.5109	2.5843	2.5843	2.5426		3.4971	2.7524	2.7524	3.4971	2.8171	1.0992	1.0992	2.8171	3.4909	1.0970
H6	2.2367	1.0889	2.2368	2.7524	3.4971		1.8303	3.1202	2.5270	3.7669	4.3627	3.8138	3.1147	2.5098	3.7689
H7	2.2367	1.0889	2.2368	3.4971	2.7524	1.8303		2.5270	3.1202	4.3627	3.7669	3.1147	3.8138	3.7689	2.5098
H8	2.2367	2.2368	1.0889	3.4971	2.7524	3.1202	2.5270		1.8303	3.8138	3.1147	3.7669	4.3627	3.7689	2.5098
H9	2.2367	2.2368	1.0889	2.7524	3.4971	2.5270	3.1202	1.8303		3.1147	3.8138	4.3627	3.7669	2.5098	3.7689
H10	2.1627	3.4782	3.0683	1.0992	2.8171	3.7669	4.3627	3.8138	3.1147		2.6461	3.1869	1.7761	1.7750	3.8185
H11	2.1627	3.4782	3.0683	2.8171	1.0992	4.3627	3.7669	3.1147	3.8138	2.6461		1.7761	3.1869	3.8185	1.7750
H12	2.1627	3.0683	3.4782	2.8171	1.0992	3.8138	3.1147	3.7669	4.3627	3.1869	1.7761		2.6461	3.8185	1.7750
H13	2.1627	3.0683	3.4782	1.0992	2.8171	3.1147	3.8138	4.3627	3.7669	1.7761	3.1869	2.6461		1.7750	3.8185
H14	2.1667	2.7228	2.7228	1.0970	3.4909	2.5098	3.7689	3.7689	2.5098	1.7750	3.8185	3.8185	1.7750		4.3195
H15	2.1667	2.7228	2.7228	3.4909	1.0970	3.7689	2.5098	2.5098	3.7689	3.8185	1.7750	1.7750	3.8185	4.3195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.900	C1	C2	H6	118.180
C1	C2	H7	118.180	C1	C3	C2	59.900
C1	C3	H8	118.180	C1	C3	H9	118.180
C1	C4	H10	110.920	C1	C4	H13	110.920
C1	C4	H14	111.379	C1	C5	H11	110.920
C1	C5	H12	110.920	C1	C5	H15	111.379
C2	C1	C3	60.200	C2	C1	C4	117.872
C2	C1	C5	117.872	C2	C3	H8	117.821
C2	C3	H9	117.821	C3	C1	C4	117.872
C3	C1	C5	117.872	C3	C2	H6	117.821
C3	C2	H7	117.821	C4	C1	C5	114.584
H6	C2	H7	114.379	H8	C3	H9	114.379
H10	C4	H13	107.777	H10	C4	H14	107.846
H11	C5	H12	107.777	H11	C5	H15	107.846
H12	C5	H15	107.846	H13	C4	H14	107.846

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

using model chemistry: mPW1PW91/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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Number	Element	Mulliken
1	C	0.084
2	C	0.900
3	C	0.900
4	C	0.391
5	C	0.391
6	H	-0.517
7	H	-0.517
8	H	-0.517
9	H	-0.517
10	H	-0.036
11	H	-0.036
12	H	-0.036
13	H	-0.036
14	H	-0.227
15	H	-0.227

<r²>	122.744
(<r²>)^1/2	11.079

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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