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	hartrees
Energy at 0K	-195.158503
Energy at 298.15K	-195.169628
Nuclear repulsion energy	185.159690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	2964	15.87
2	A	3232	2926	49.25
3	A	3159	2860	45.61
4	A	1650	1494	0.79
5	A	1624	1470	3.53
6	A	1550	1404	0.14
7	A	1460	1322	2.01
8	A	1183	1071	1.26
9	A	1153	1044	1.93
10	A	1017	921	13.04
11	A	728	660	1.96
12	A	374	339	0.04
13	A	3340	3024	0.00
14	A	3210	2907	0.00
15	A	1600	1449	0.00
16	A	1289	1167	0.00
17	A	1156	1047	0.00
18	A	971	879	0.00
19	A	354	320	0.00
20	A	231	209	0.00
21	A	3264	2955	31.79
22	A	3216	2912	82.48
23	A	1620	1467	3.83
24	A	1591	1441	2.09
25	A	1262	1143	5.74
26	A	1199	1086	0.07
27	A	925	838	10.26
28	A	426	386	0.80
29	A	264	239	0.00
30	A	3355	3038	36.12
31	A	3228	2923	25.31
32	A	3153	2855	35.35
33	A	1612	1459	3.24
34	A	1540	1395	4.39
35	A	1421	1287	1.63
36	A	1050	951	0.28
37	A	1014	918	0.29
38	A	844	764	0.09
39	A	384	348	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.146
C2	0.752	0.000	-1.150
C3	-0.752	0.000	-1.150
C4	0.000	1.272	0.969
C5	0.000	-1.272	0.969
H6	1.256	0.902	-1.449
H7	1.256	-0.902	-1.449
H8	-1.256	-0.902	-1.449
H9	-1.256	0.902	-1.449
H10	-0.879	1.322	1.608
H11	-0.879	-1.322	1.608
H12	0.879	-1.322	1.608
H13	0.879	1.322	1.608
H14	0.000	2.153	0.335
H15	0.000	-2.153	0.335

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4985	1.4985	1.5152	1.5152	2.2221	2.2221	2.2221	2.2221	2.1576	2.1576	2.1576	2.1576	2.1615	2.1615
C2	1.4985		1.5031	2.5835	2.5835	1.0762	1.0762	2.2216	2.2216	3.4657	3.4657	3.0609	3.0609	2.7215	2.7215
C3	1.4985	1.5031		2.5835	2.5835	2.2216	2.2216	1.0762	1.0762	3.0609	3.0609	3.4657	3.4657	2.7215	2.7215
C4	1.5152	2.5835	2.5835		2.5445	2.7502	3.4863	3.4863	2.7502	1.0875	2.8122	2.8122	1.0875	1.0856	3.4838
C5	1.5152	2.5835	2.5835	2.5445		3.4863	2.7502	2.7502	3.4863	2.8122	1.0875	1.0875	2.8122	3.4838	1.0856
H6	2.2221	1.0762	2.2216	2.7502	3.4863		1.8042	3.0936	2.5130	3.7523	4.3416	3.7991	3.1087	2.5152	3.7545
H7	2.2221	1.0762	2.2216	3.4863	2.7502	1.8042		2.5130	3.0936	4.3416	3.7523	3.1087	3.7991	3.7545	2.5152
H8	2.2221	2.2216	1.0762	3.4863	2.7502	3.0936	2.5130		1.8042	3.7991	3.1087	3.7523	4.3416	3.7545	2.5152
H9	2.2221	2.2216	1.0762	2.7502	3.4863	2.5130	3.0936	1.8042		3.1087	3.7991	4.3416	3.7523	2.5152	3.7545
H10	2.1576	3.4657	3.0609	1.0875	2.8122	3.7523	4.3416	3.7991	3.1087		2.6433	3.1742	1.7574	1.7563	3.8037
H11	2.1576	3.4657	3.0609	2.8122	1.0875	4.3416	3.7523	3.1087	3.7991	2.6433		1.7574	3.1742	3.8037	1.7563
H12	2.1576	3.0609	3.4657	2.8122	1.0875	3.7991	3.1087	3.7523	4.3416	3.1742	1.7574		2.6433	3.8037	1.7563
H13	2.1576	3.0609	3.4657	1.0875	2.8122	3.1087	3.7991	4.3416	3.7523	1.7574	3.1742	2.6433		1.7563	3.8037
H14	2.1615	2.7215	2.7215	1.0856	3.4838	2.5152	3.7545	3.7545	2.5152	1.7563	3.8037	3.8037	1.7563		4.3066
H15	2.1615	2.7215	2.7215	3.4838	1.0856	3.7545	2.5152	2.5152	3.7545	3.8037	1.7563	1.7563	3.8037	4.3066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.897	C1	C2	H6	118.405
C1	C2	H7	118.405	C1	C3	C2	59.897
C1	C3	H8	118.405	C1	C3	H9	118.405
C1	C4	H10	110.923	C1	C4	H13	110.923
C1	C4	H14	111.353	C1	C5	H11	110.923
C1	C5	H12	110.923	C1	C5	H15	111.353
C2	C1	C3	60.206	C2	C1	C4	118.022
C2	C1	C5	118.022	C2	C3	H8	117.980
C2	C3	H9	117.980	C3	C1	C4	118.022
C3	C1	C5	118.022	C3	C2	H6	117.980
C3	C2	H7	117.980	C4	C1	C5	114.215
H6	C2	H7	113.914	H8	C3	H9	113.914
H10	C4	H13	107.811	H10	C4	H14	107.839
H11	C5	H12	107.811	H11	C5	H15	107.839
H12	C5	H15	107.839	H13	C4	H14	107.839

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

using model chemistry: HF/6-31G(2df,p)

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	0.171
2	C	-0.325
3	C	-0.325
4	C	-0.428
5	C	-0.428
6	H	0.137
7	H	0.137
8	H	0.137
9	H	0.137
10	H	0.131
11	H	0.131
12	H	0.131
13	H	0.131
14	H	0.130
15	H	0.130

<r²>	122.147
(<r²>)^1/2	11.052

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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