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	hartrees
Energy at 0K	-196.477961
Energy at 298.15K	-196.488771
Nuclear repulsion energy	183.317194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3033	11.67
2	A	3111	2992	44.48
3	A	3031	2916	44.63
4	A	1554	1495	1.89
5	A	1539	1481	4.83
6	A	1466	1411	0.05
7	A	1375	1323	1.54
8	A	1105	1063	3.21
9	A	1084	1043	12.05
10	A	953	917	12.65
11	A	688	662	1.89
12	A	360	346	0.00
13	A	3225	3103	0.00
14	A	3091	2974	0.00
15	A	1528	1470	0.00
16	A	1211	1165	0.00
17	A	1091	1050	0.00
18	A	927	892	0.00
19	A	331	318	0.00
20	A	211	203	0.00
21	A	3146	3026	23.85
22	A	3096	2978	74.72
23	A	1544	1486	6.21
24	A	1515	1457	5.21
25	A	1195	1150	10.21
26	A	1120	1078	0.77
27	A	846	814	7.07
28	A	403	387	1.65
29	A	236	227	0.01
30	A	3241	3118	32.54
31	A	3108	2990	21.79
32	A	3026	2911	38.67
33	A	1539	1480	5.49
34	A	1453	1398	8.25
35	A	1342	1291	2.84
36	A	1001	963	0.51
37	A	962	926	0.71
38	A	813	782	0.01
39	A	369	355	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.153
C2	0.762	0.000	-1.166
C3	-0.762	0.000	-1.166
C4	0.000	1.278	0.979
C5	0.000	-1.278	0.979
H6	1.275	0.909	-1.465
H7	1.275	-0.909	-1.465
H8	-1.275	-0.909	-1.465
H9	-1.275	0.909	-1.465
H10	-0.887	1.328	1.625
H11	-0.887	-1.328	1.625
H12	0.887	-1.328	1.625
H13	0.887	1.328	1.625
H14	0.000	2.168	0.340
H15	0.000	-2.168	0.340

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5232	1.5232	1.5217	1.5217	2.2517	2.2517	2.2517	2.2517	2.1719	2.1719	2.1719	2.1719	2.1763	2.1763
C2	1.5232		1.5239	2.6107	2.6107	1.0859	1.0859	2.2504	2.2504	3.5030	3.5030	3.0933	3.0933	2.7476	2.7476
C3	1.5232	1.5239		2.6107	2.6107	2.2504	2.2504	1.0859	1.0859	3.0933	3.0933	3.5030	3.5030	2.7476	2.7476
C4	1.5217	2.6107	2.6107		2.5556	2.7815	3.5191	3.5191	2.7815	1.0980	2.8275	2.8275	1.0980	1.0963	3.5049
C5	1.5217	2.6107	2.6107	2.5556		3.5191	2.7815	2.7815	3.5191	2.8275	1.0980	1.0980	2.8275	3.5049	1.0963
H6	2.2517	1.0859	2.2504	2.7815	3.5191		1.8185	3.1316	2.5495	3.7942	4.3849	3.8348	3.1423	2.5432	3.7887
H7	2.2517	1.0859	2.2504	3.5191	2.7815	1.8185		2.5495	3.1316	4.3849	3.7942	3.1423	3.8348	3.7887	2.5432
H8	2.2517	2.2504	1.0859	3.5191	2.7815	3.1316	2.5495		1.8185	3.8348	3.1423	3.7942	4.3849	3.7887	2.5432
H9	2.2517	2.2504	1.0859	2.7815	3.5191	2.5495	3.1316	1.8185		3.1423	3.8348	4.3849	3.7942	2.5432	3.7887
H10	2.1719	3.5030	3.0933	1.0980	2.8275	3.7942	4.3849	3.8348	3.1423		2.6567	3.1943	1.7736	1.7728	3.8293
H11	2.1719	3.5030	3.0933	2.8275	1.0980	4.3849	3.7942	3.1423	3.8348	2.6567		1.7736	3.1943	3.8293	1.7728
H12	2.1719	3.0933	3.5030	2.8275	1.0980	3.8348	3.1423	3.7942	4.3849	3.1943	1.7736		2.6567	3.8293	1.7728
H13	2.1719	3.0933	3.5030	1.0980	2.8275	3.1423	3.8348	4.3849	3.7942	1.7736	3.1943	2.6567		1.7728	3.8293
H14	2.1763	2.7476	2.7476	1.0963	3.5049	2.5432	3.7887	3.7887	2.5432	1.7728	3.8293	3.8293	1.7728		4.3364
H15	2.1763	2.7476	2.7476	3.5049	1.0963	3.7887	2.5432	2.5432	3.7887	3.8293	1.7728	1.7728	3.8293	4.3364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.985	C1	C2	H6	118.345
C1	C2	H7	118.345	C1	C3	C2	59.985
C1	C3	H8	118.345	C1	C3	H9	118.345
C1	C4	H10	110.969	C1	C4	H13	110.969
C1	C4	H14	111.422	C1	C5	H11	110.969
C1	C5	H12	110.969	C1	C5	H15	111.422
C2	C1	C3	60.030	C2	C1	C4	118.048
C2	C1	C5	118.048	C2	C3	H8	118.178
C2	C3	H9	118.178	C3	C1	C4	118.048
C3	C1	C5	118.048	C3	C2	H6	118.178
C3	C2	H7	118.178	C4	C1	C5	114.218
H6	C2	H7	113.717	H8	C3	H9	113.717
H10	C4	H13	107.735	H10	C4	H14	107.792
H11	C5	H12	107.735	H11	C5	H15	107.792
H12	C5	H15	107.792	H13	C4	H14	107.792

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

using model chemistry: B3LYP/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	0.053
2	C	-0.282
3	C	-0.282
4	C	-0.405
5	C	-0.405
6	H	0.135
7	H	0.135
8	H	0.135
9	H	0.135
10	H	0.132
11	H	0.132
12	H	0.132
13	H	0.126
14	H	0.126
15	H	0.132

<r²>	124.022
(<r²>)^1/2	11.137

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

using model chemistry: B3LYP/6-31G

States and conformations

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