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	hartrees
Energy at 0K	-196.422626
Energy at 298.15K	-196.433366
Nuclear repulsion energy	184.921531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3015	10.80
2	A	3138	2996	39.31
3	A	3050	2912	36.91
4	A	1535	1466	0.26
5	A	1510	1441	5.79
6	A	1429	1365	0.02
7	A	1373	1311	1.31
8	A	1107	1057	0.61
9	A	1045	998	6.91
10	A	971	928	13.21
11	A	707	675	1.43
12	A	341	326	0.01
13	A	3236	3090	0.00
14	A	3121	2980	0.00
15	A	1486	1419	0.00
16	A	1187	1134	0.00
17	A	1063	1015	0.00
18	A	892	852	0.00
19	A	328	313	0.00
20	A	219	210	0.00
21	A	3153	3011	22.70
22	A	3123	2981	58.08
23	A	1506	1438	5.20
24	A	1470	1404	3.71
25	A	1162	1109	6.58
26	A	1071	1022	1.04
27	A	882	842	4.71
28	A	388	371	1.13
29	A	245	234	0.02
30	A	3249	3102	22.49
31	A	3136	2994	16.61
32	A	3046	2909	35.49
33	A	1502	1434	4.19
34	A	1419	1355	7.64
35	A	1331	1271	0.81
36	A	970	926	0.69
37	A	959	916	0.39
38	A	787	752	0.04
39	A	349	333	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.752	0.000	-1.150
C3	-0.752	0.000	-1.150
C4	0.000	1.271	0.966
C5	0.000	-1.271	0.966
H6	1.261	0.911	-1.446
H7	1.261	-0.911	-1.446
H8	-1.261	-0.911	-1.446
H9	-1.261	0.911	-1.446
H10	-0.884	1.327	1.609
H11	-0.884	-1.327	1.609
H12	0.884	-1.327	1.609
H13	0.884	1.327	1.609
H14	0.000	2.154	0.322
H15	0.000	-2.154	0.322

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5026	1.5026	1.5100	1.5100	2.2299	2.2299	2.2299	2.2299	2.1608	2.1608	2.1608	2.1608	2.1612	2.1612
C2	1.5026		1.5039	2.5803	2.5803	1.0848	1.0848	2.2294	2.2294	3.4713	3.4713	3.0645	3.0645	2.7155	2.7155
C3	1.5026	1.5039		2.5803	2.5803	2.2294	2.2294	1.0848	1.0848	3.0645	3.0645	3.4713	3.4713	2.7155	2.7155
C4	1.5100	2.5803	2.5803		2.5425	2.7460	3.4888	3.4888	2.7460	1.0946	2.8190	2.8190	1.0946	1.0930	3.4857
C5	1.5100	2.5803	2.5803	2.5425		3.4888	2.7460	2.7460	3.4888	2.8190	1.0946	1.0946	2.8190	3.4857	1.0930
H6	2.2299	1.0848	2.2294	2.7460	3.4888		1.8215	3.1113	2.5224	3.7566	4.3528	3.8063	3.1069	2.5030	3.7568
H7	2.2299	1.0848	2.2294	3.4888	2.7460	1.8215		2.5224	3.1113	4.3528	3.7566	3.1069	3.8063	3.7568	2.5030
H8	2.2299	2.2294	1.0848	3.4888	2.7460	3.1113	2.5224		1.8215	3.8063	3.1069	3.7566	4.3528	3.7568	2.5030
H9	2.2299	2.2294	1.0848	2.7460	3.4888	2.5224	3.1113	1.8215		3.1069	3.8063	4.3528	3.7566	2.5030	3.7568
H10	2.1608	3.4713	3.0645	1.0946	2.8190	3.7566	4.3528	3.8063	3.1069		2.6544	3.1892	1.7678	1.7671	3.8158
H11	2.1608	3.4713	3.0645	2.8190	1.0946	4.3528	3.7566	3.1069	3.8063	2.6544		1.7678	3.1892	3.8158	1.7671
H12	2.1608	3.0645	3.4713	2.8190	1.0946	3.8063	3.1069	3.7566	4.3528	3.1892	1.7678		2.6544	3.8158	1.7671
H13	2.1608	3.0645	3.4713	1.0946	2.8190	3.1069	3.8063	4.3528	3.7566	1.7678	3.1892	2.6544		1.7671	3.8158
H14	2.1612	2.7155	2.7155	1.0930	3.4857	2.5030	3.7568	3.7568	2.5030	1.7671	3.8158	3.8158	1.7671		4.3090
H15	2.1612	2.7155	2.7155	3.4857	1.0930	3.7568	2.5030	2.5030	3.7568	3.8158	1.7671	1.7671	3.8158	4.3090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.972	C1	C2	H6	118.141
C1	C2	H7	118.141	C1	C3	C2	59.972
C1	C3	H8	118.141	C1	C3	H9	118.141
C1	C4	H10	111.110	C1	C4	H13	111.110
C1	C4	H14	111.247	C1	C5	H11	111.110
C1	C5	H12	111.110	C1	C5	H15	111.247
C2	C1	C3	60.056	C2	C1	C4	117.854
C2	C1	C5	117.854	C2	C3	H8	117.998
C2	C3	H9	117.998	C3	C1	C4	117.854
C3	C1	C5	117.854	C3	C2	H6	117.998
C3	C2	H7	117.998	C4	C1	C5	114.680
H6	C2	H7	114.188	H8	C3	H9	114.188
H10	C4	H13	107.702	H10	C4	H14	107.752
H11	C5	H12	107.702	H11	C5	H15	107.752
H12	C5	H15	107.752	H13	C4	H14	107.752

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

using model chemistry: B1B95/6-31G**

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	0.017
2	C	-0.253
3	C	-0.253
4	C	-0.347
5	C	-0.347
6	H	0.122
7	H	0.122
8	H	0.122
9	H	0.122
10	H	0.119
11	H	0.119
12	H	0.119
13	H	0.119
14	H	0.110
15	H	0.110

<r²>	121.887
(<r²>)^1/2	11.040

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

using model chemistry: B1B95/6-31G**

States and conformations

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