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	hartrees
Energy at 0K	-195.935270
Energy at 298.15K	-195.946118
HF Energy	-195.180171
Nuclear repulsion energy	184.502773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3013	10.38
2	A	3153	2996	34.47
3	A	3056	2904	33.03
4	A	1542	1465	0.00
5	A	1522	1447	7.25
6	A	1436	1364	0.04
7	A	1384	1315	0.52
8	A	1103	1048	0.26
9	A	1060	1008	14.31
10	A	972	923	9.89
11	A	701	666	1.39
12	A	350	333	0.06
13	A	3259	3097	0.00
14	A	3136	2980	0.00
15	A	1501	1426	0.00
16	A	1202	1142	0.00
17	A	1079	1025	0.00
18	A	915	869	0.00
19	A	337	320	0.00
20	A	219	208	0.00
21	A	3166	3008	16.50
22	A	3138	2981	54.81
23	A	1520	1445	6.76
24	A	1483	1410	4.88
25	A	1176	1117	3.28
26	A	1078	1024	1.12
27	A	883	839	6.52
28	A	393	373	0.86
29	A	255	243	0.01
30	A	3272	3109	19.52
31	A	3151	2995	13.63
32	A	3053	2901	32.25
33	A	1514	1439	4.83
34	A	1428	1357	8.55
35	A	1349	1281	0.13
36	A	987	937	0.47
37	A	975	926	0.14
38	A	804	764	0.12
39	A	358	341	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.152
C2	0.759	0.000	-1.151
C3	-0.759	0.000	-1.151
C4	0.000	1.275	0.967
C5	0.000	-1.275	0.967
H6	1.261	0.915	-1.446
H7	1.261	-0.915	-1.446
H8	-1.261	-0.915	-1.446
H9	-1.261	0.915	-1.446
H10	-0.887	1.325	1.609
H11	-0.887	-1.325	1.609
H12	0.887	-1.325	1.609
H13	0.887	1.325	1.609
H14	0.000	2.154	0.316
H15	0.000	-2.154	0.316

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5079	1.5079	1.5129	1.5129	2.2325	2.2325	2.2325	2.2325	2.1599	2.1599	2.1599	2.1599	2.1607	2.1607
C2	1.5079		1.5182	2.5858	2.5858	1.0852	1.0852	2.2378	2.2378	3.4760	3.4760	3.0640	3.0640	2.7147	2.7147
C3	1.5079	1.5182		2.5858	2.5858	2.2378	2.2378	1.0852	1.0852	3.0640	3.0640	3.4760	3.4760	2.7147	2.7147
C4	1.5129	2.5858	2.5858		2.5492	2.7468	3.4946	3.4946	2.7468	1.0963	2.8208	2.8208	1.0963	1.0946	3.4904
C5	1.5129	2.5858	2.5858	2.5492		3.4946	2.7468	2.7468	3.4946	2.8208	1.0963	1.0963	2.8208	3.4904	1.0946
H6	2.2325	1.0852	2.2378	2.7468	3.4946		1.8309	3.1172	2.5229	3.7576	4.3556	3.8070	3.1052	2.4964	3.7578
H7	2.2325	1.0852	2.2378	3.4946	2.7468	1.8309		2.5229	3.1172	4.3556	3.7576	3.1052	3.8070	3.7578	2.4964
H8	2.2325	2.2378	1.0852	3.4946	2.7468	3.1172	2.5229		1.8309	3.8070	3.1052	3.7576	4.3556	3.7578	2.4964
H9	2.2325	2.2378	1.0852	2.7468	3.4946	2.5229	3.1172	1.8309		3.1052	3.8070	4.3556	3.7576	2.4964	3.7578
H10	2.1599	3.4760	3.0640	1.0963	2.8208	3.7576	4.3556	3.8070	3.1052		2.6498	3.1892	1.7747	1.7741	3.8164
H11	2.1599	3.4760	3.0640	2.8208	1.0963	4.3556	3.7576	3.1052	3.8070	2.6498		1.7747	3.1892	3.8164	1.7741
H12	2.1599	3.0640	3.4760	2.8208	1.0963	3.8070	3.1052	3.7576	4.3556	3.1892	1.7747		2.6498	3.8164	1.7741
H13	2.1599	3.0640	3.4760	1.0963	2.8208	3.1052	3.8070	4.3556	3.7576	1.7747	3.1892	2.6498		1.7741	3.8164
H14	2.1607	2.7147	2.7147	1.0946	3.4904	2.4964	3.7578	3.7578	2.4964	1.7741	3.8164	3.8164	1.7741		4.3090
H15	2.1607	2.7147	2.7147	3.4904	1.0946	3.7578	2.4964	2.4964	3.7578	3.8164	1.7741	1.7741	3.8164	4.3090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.776	C1	C2	H6	117.921
C1	C2	H7	117.921	C1	C3	C2	59.776
C1	C3	H8	117.921	C1	C3	H9	117.921
C1	C4	H10	110.735	C1	C4	H13	110.735
C1	C4	H14	110.901	C1	C5	H11	110.735
C1	C5	H12	110.735	C1	C5	H15	110.901
C2	C1	C3	60.449	C2	C1	C4	117.741
C2	C1	C5	117.741	C2	C3	H8	117.575
C2	C3	H9	117.575	C3	C1	C4	117.741
C3	C1	C5	117.741	C3	C2	H6	117.575
C3	C2	H7	117.575	C4	C1	C5	114.808
H6	C2	H7	115.037	H8	C3	H9	115.037
H10	C4	H13	108.077	H10	C4	H14	108.143
H11	C5	H12	108.077	H11	C5	H15	108.143
H12	C5	H15	108.143	H13	C4	H14	108.143

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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