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	hartrees
Energy at 0K	-33.907008
Energy at 298.15K	-33.917795
HF Energy	-33.239954
Nuclear repulsion energy	103.039365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3264	3110	28.44
2	A	3251	3098	0.00
3	A	3159	3010	19.96
4	A	3153	3004	23.56
5	A	3149	3001	34.86
6	A	3148	2999	18.18
7	A	3134	2986	63.46
8	A	3131	2983	6.24
9	A	3045	2902	39.93
10	A	3042	2898	38.79
11	A	1551	1478	0.21
12	A	1537	1465	7.79
13	A	1536	1464	7.62
14	A	1529	1457	5.87
15	A	1516	1444	0.00
16	A	1494	1424	4.29
17	A	1453	1384	0.04
18	A	1444	1376	9.42
19	A	1382	1317	0.61
20	A	1347	1284	0.16
21	A	1200	1144	0.00
22	A	1173	1118	2.67
23	A	1094	1043	0.18
24	A	1082	1031	0.00
25	A	1066	1015	1.74
26	A	1057	1007	15.38
27	A	984	937	0.45
28	A	969	924	0.19
29	A	960	915	11.93
30	A	914	871	0.00
31	A	877	836	8.76
32	A	794	756	0.09
33	A	690	657	1.72
34	A	391	372	1.08
35	A	356	339	0.98
36	A	352	335	0.08
37	A	336	320	0.00
38	A	249	237	0.01
39	A	215	205	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.139	-0.000	0.000
C2	-1.170	-0.002	-0.766
C3	-1.170	-0.002	0.766
C4	0.956	1.284	-0.000
C5	0.961	-1.281	0.000
H6	-1.472	0.915	-1.267
H7	-1.470	-0.920	-1.267
H8	-1.470	-0.919	1.267
H9	-1.472	0.915	1.267
H10	1.598	1.336	0.890
H11	1.603	-1.330	0.889
H12	1.600	1.334	-0.888
H13	0.303	2.164	-0.002
H14	0.312	-2.164	-0.001
H15	1.604	-1.329	-0.889

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5166	1.5166	1.5216	1.5216	2.2446	2.2448	2.2447	2.2446	2.1686	2.1685	2.1686	2.1704	2.1706	2.1685
C2	1.5166		1.5322	2.5998	2.6004	1.0876	1.0875	2.2506	2.2509	3.4912	3.4917	3.0773	2.7288	2.7300	3.0772
C3	1.5166	1.5322		2.5998	2.6005	2.2508	2.2507	1.0875	1.0876	3.0762	3.0770	3.4917	2.7297	2.7308	3.4919
C4	1.5216	2.5998	2.5998		2.5643	2.7635	3.5133	3.5133	2.7635	1.0980	2.8355	1.0981	1.0960	3.5071	2.8349
C5	1.5216	2.6004	2.6005	2.5643		3.5135	2.7648	2.7649	3.5136	2.8357	1.0978	2.8345	3.5069	1.0961	1.0980
H6	2.2446	1.0876	2.2508	2.7635	3.5135		1.8342	3.1284	2.5346	3.7751	4.3754	3.1232	2.5128	3.7764	3.8260
H7	2.2448	1.0875	2.2507	3.5133	2.7648	1.8342		2.5341	3.1285	4.3755	3.7762	3.8267	3.7754	2.5148	3.1237
H8	2.2447	2.2506	1.0875	3.5133	2.7649	3.1284	2.5341		1.8342	3.8258	3.1232	4.3756	3.7764	2.5160	3.7766
H9	2.2446	2.2509	1.0876	2.7635	3.5136	2.5346	3.1285	1.8342		3.1213	3.8260	3.7758	2.5145	3.7773	4.3755
H10	2.1686	3.4912	3.0762	1.0980	2.8357	3.7751	4.3755	3.8258	3.1213		2.6656	1.7778	1.7765	3.8331	3.2038
H11	2.1685	3.4917	3.0770	2.8355	1.0978	4.3754	3.7762	3.1232	3.8260	2.6656		3.2026	3.8329	1.7763	1.7778
H12	2.1686	3.0773	3.4917	1.0981	2.8345	3.1232	3.8267	4.3756	3.7758	1.7778	3.2026		1.7762	3.8317	2.6635
H13	2.1704	2.7288	2.7297	1.0960	3.5069	2.5128	3.7754	3.7764	2.5145	1.7765	3.8329	1.7762		4.3278	3.8317
H14	2.1706	2.7300	2.7308	3.5071	1.0961	3.7764	2.5148	2.5160	3.7773	3.8331	1.7763	3.8317	4.3278		1.7759
H15	2.1685	3.0772	3.4919	2.8349	1.0980	3.8260	3.1237	3.7766	4.3755	3.2038	1.7778	2.6635	3.8317	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.658	C1	C2	H6	118.132
C1	C2	H7	118.150	C1	C3	C2	59.658
C1	C3	H8	118.147	C1	C3	H9	118.133
C1	C4	H10	110.710	C1	C4	H13	110.976
C1	C4	H14	21.887	C1	C5	H11	110.719
C1	C5	H12	49.109	C1	C5	H15	110.705
C2	C1	C3	60.684	C2	C1	C4	117.672
C2	C1	C5	117.716	C2	C3	H8	117.424
C2	C3	H9	117.442	C3	C1	C4	117.671
C3	C1	C5	117.723	C3	C2	H6	117.437
C3	C2	H7	117.428	C4	C1	C5	114.831
H6	C2	H7	114.975	H8	C3	H9	114.976
H10	C4	H13	108.134	H10	C4	H14	98.867
H11	C5	H12	99.408	H11	C5	H15	108.127
H12	C5	H15	69.836	H13	C4	H14	132.862

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

using model chemistry: MP2/CEP-121G*

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

using model chemistry: MP2/CEP-121G*

States and conformations

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