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	hartrees
Energy at 0K	-34.196981
Energy at 298.15K	-34.207686
Nuclear repulsion energy	102.067793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3090	3012	19.41
2	A	3063	2985	61.92
3	A	2971	2895	58.44
4	A	1529	1490	1.85
5	A	1509	1470	6.40
6	A	1438	1401	0.28
7	A	1351	1317	1.79
8	A	1074	1047	0.97
9	A	1050	1023	14.34
10	A	929	905	15.37
11	A	664	647	2.51
12	A	347	338	0.01
13	A	3173	3092	0.00
14	A	3042	2964	0.00
15	A	1505	1466	0.00
16	A	1182	1152	0.00
17	A	1065	1038	0.00
18	A	905	881	0.00
19	A	323	315	0.00
20	A	200	195	0.00
21	A	3079	3001	40.85
22	A	3047	2969	107.67
23	A	1521	1483	8.31
24	A	1479	1442	4.78
25	A	1159	1129	7.29
26	A	1083	1055	1.15
27	A	819	798	9.81
28	A	392	382	1.74
29	A	226	220	0.01
30	A	3190	3109	54.40
31	A	3059	2981	28.61
32	A	2965	2889	52.00
33	A	1514	1475	5.94
34	A	1426	1390	11.82
35	A	1321	1287	1.88
36	A	975	950	0.53
37	A	946	922	0.33
38	A	791	771	0.01
39	A	352	343	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.141
C2	0.773	0.000	-1.192
C3	-0.773	0.000	-1.192
C4	0.000	1.290	0.975
C5	0.000	-1.290	0.975
H6	1.284	0.913	-1.494
H7	1.284	-0.913	-1.494
H8	-1.284	-0.913	-1.494
H9	-1.284	0.913	-1.494
H10	-0.889	1.339	1.621
H11	-0.889	-1.339	1.621
H12	0.889	-1.339	1.621
H13	0.889	1.339	1.621
H14	0.000	2.183	0.334
H15	0.000	-2.183	0.334

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5417	1.5417	1.5358	1.5358	2.2708	2.2708	2.2708	2.2708	2.1848	2.1848	2.1848	2.1848	2.1914	2.1914
C2	1.5417		1.5461	2.6378	2.6378	1.0886	1.0886	2.2703	2.2703	3.5316	3.5316	3.1181	3.1181	2.7737	2.7737
C3	1.5417	1.5461		2.6378	2.6378	2.2703	2.2703	1.0886	1.0886	3.1181	3.1181	3.5316	3.5316	2.7737	2.7737
C4	1.5358	2.6378	2.6378		2.5803	2.8081	3.5491	3.5491	2.8081	1.1005	2.8498	2.8498	1.1005	1.0987	3.5316
C5	1.5358	2.6378	2.6378	2.5803		3.5491	2.8081	2.8081	3.5491	2.8498	1.1005	1.1005	2.8498	3.5316	1.0987
H6	2.2708	1.0886	2.2703	2.8081	3.5491		1.8257	3.1502	2.5672	3.8221	4.4157	3.8642	3.1690	2.5698	3.8177
H7	2.2708	1.0886	2.2703	3.5491	2.8081	1.8257		2.5672	3.1502	4.4157	3.8221	3.1690	3.8642	3.8177	2.5698
H8	2.2708	2.2703	1.0886	3.5491	2.8081	3.1502	2.5672		1.8257	3.8642	3.1690	3.8221	4.4157	3.8177	2.5698
H9	2.2708	2.2703	1.0886	2.8081	3.5491	2.5672	3.1502	1.8257		3.1690	3.8642	4.4157	3.8221	2.5698	3.8177
H10	2.1848	3.5316	3.1181	1.1005	2.8498	3.8221	4.4157	3.8642	3.1690		2.6782	3.2149	1.7785	1.7774	3.8538
H11	2.1848	3.5316	3.1181	2.8498	1.1005	4.4157	3.8221	3.1690	3.8642	2.6782		1.7785	3.2149	3.8538	1.7774
H12	2.1848	3.1181	3.5316	2.8498	1.1005	3.8642	3.1690	3.8221	4.4157	3.2149	1.7785		2.6782	3.8538	1.7774
H13	2.1848	3.1181	3.5316	1.1005	2.8498	3.1690	3.8642	4.4157	3.8221	1.7785	3.2149	2.6782		1.7774	3.8538
H14	2.1914	2.7737	2.7737	1.0987	3.5316	2.5698	3.8177	3.8177	2.5698	1.7774	3.8538	3.8538	1.7774		4.3658
H15	2.1914	2.7737	2.7737	3.5316	1.0987	3.8177	2.5698	2.5698	3.8177	3.8538	1.7774	1.7774	3.8538	4.3658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.905	C1	C2	H6	118.363
C1	C2	H7	118.363	C1	C3	C2	59.905
C1	C3	H8	118.363	C1	C3	H9	118.363
C1	C4	H10	110.859	C1	C4	H13	110.859
C1	C4	H14	111.489	C1	C5	H11	110.859
C1	C5	H12	110.859	C1	C5	H15	111.489
C2	C1	C3	60.190	C2	C1	C4	117.995
C2	C1	C5	117.995	C2	C3	H8	117.970
C2	C3	H9	117.970	C3	C1	C4	117.995
C3	C1	C5	117.995	C3	C2	H6	117.970
C3	C2	H7	117.970	C4	C1	C5	114.288
H6	C2	H7	113.973	H8	C3	H9	113.973
H10	C4	H13	107.812	H10	C4	H14	107.834
H11	C5	H12	107.812	H11	C5	H15	107.834
H12	C5	H15	107.834	H13	C4	H14	107.834

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.377
2	C	-0.372
3	C	-0.372
4	C	-0.522
5	C	-0.522
6	H	0.141
7	H	0.141
8	H	0.141
9	H	0.141
10	H	0.142
11	H	0.142
12	H	0.142
13	H	0.142
14	H	0.140
15	H	0.140

<r²>	107.666
(<r²>)^1/2	10.376

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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