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	hartrees
Energy at 0K	-196.543197
Energy at 298.15K	-196.553943
Nuclear repulsion energy	183.985533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3135	3013	13.58
2	A	3109	2987	39.59
3	A	3031	2913	41.60
4	A	1533	1473	0.06
5	A	1517	1458	4.30
6	A	1437	1381	0.19
7	A	1361	1308	1.99
8	A	1095	1052	0.87
9	A	1049	1008	6.45
10	A	952	915	10.59
11	A	690	662	1.32
12	A	350	337	0.01
13	A	3209	3083	0.00
14	A	3088	2967	0.00
15	A	1495	1436	0.00
16	A	1193	1146	0.00
17	A	1070	1028	0.00
18	A	901	865	0.00
19	A	329	316	0.00
20	A	216	207	0.00
21	A	3131	3008	24.94
22	A	3092	2971	66.40
23	A	1514	1455	4.41
24	A	1482	1424	2.40
25	A	1164	1118	6.06
26	A	1077	1035	0.84
27	A	856	822	5.60
28	A	393	378	1.05
29	A	243	233	0.01
30	A	3222	3095	27.89
31	A	3107	2985	18.88
32	A	3026	2908	33.66
33	A	1508	1449	3.85
34	A	1425	1369	4.33
35	A	1325	1273	2.09
36	A	976	938	0.39
37	A	952	915	0.57
38	A	793	762	0.05
39	A	360	346	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.757	0.000	-1.158
C3	-0.757	0.000	-1.158
C4	0.000	1.277	0.973
C5	0.000	-1.277	0.973
H6	1.267	0.911	-1.458
H7	1.267	-0.911	-1.458
H8	-1.267	-0.911	-1.458
H9	-1.267	0.911	-1.458
H10	-0.885	1.331	1.619
H11	-0.885	-1.331	1.619
H12	0.885	-1.331	1.619
H13	0.885	1.331	1.619
H14	0.000	2.165	0.334
H15	0.000	-2.165	0.334

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5119	1.5119	1.5187	1.5187	2.2412	2.2412	2.2412	2.2412	2.1698	2.1698	2.1698	2.1698	2.1729	2.1729
C2	1.5119		1.5138	2.5971	2.5971	1.0865	1.0865	2.2395	2.2395	3.4894	3.4894	3.0816	3.0816	2.7361	2.7361
C3	1.5119	1.5138		2.5971	2.5971	2.2395	2.2395	1.0865	1.0865	3.0816	3.0816	3.4894	3.4894	2.7361	2.7361
C4	1.5187	2.5971	2.5971		2.5535	2.7655	3.5075	3.5075	2.7655	1.0967	2.8281	2.8281	1.0967	1.0947	3.5009
C5	1.5187	2.5971	2.5971	2.5535		3.5075	2.7655	2.7655	3.5075	2.8281	1.0967	1.0967	2.8281	3.5009	1.0947
H6	2.2412	1.0865	2.2395	2.7655	3.5075		1.8228	3.1210	2.5334	3.7776	4.3728	3.8258	3.1282	2.5271	3.7788
H7	2.2412	1.0865	2.2395	3.5075	2.7655	1.8228		2.5334	3.1210	4.3728	3.7776	3.1282	3.8258	3.7788	2.5271
H8	2.2412	2.2395	1.0865	3.5075	2.7655	3.1210	2.5334		1.8228	3.8258	3.1282	3.7776	4.3728	3.7788	2.5271
H9	2.2412	2.2395	1.0865	2.7655	3.5075	2.5334	3.1210	1.8228		3.1282	3.8258	4.3728	3.7776	2.5271	3.7788
H10	2.1698	3.4894	3.0816	1.0967	2.8281	3.7776	4.3728	3.8258	3.1282		2.6612	3.1962	1.7702	1.7695	3.8283
H11	2.1698	3.4894	3.0816	2.8281	1.0967	4.3728	3.7776	3.1282	3.8258	2.6612		1.7702	3.1962	3.8283	1.7695
H12	2.1698	3.0816	3.4894	2.8281	1.0967	3.8258	3.1282	3.7776	4.3728	3.1962	1.7702		2.6612	3.8283	1.7695
H13	2.1698	3.0816	3.4894	1.0967	2.8281	3.1282	3.8258	4.3728	3.7776	1.7702	3.1962	2.6612		1.7695	3.8283
H14	2.1729	2.7361	2.7361	1.0947	3.5009	2.5271	3.7788	3.7788	2.5271	1.7695	3.8283	3.8283	1.7695		4.3305
H15	2.1729	2.7361	2.7361	3.5009	1.0947	3.7788	2.5271	2.5271	3.7788	3.8283	1.7695	1.7695	3.8283	4.3305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.960	C1	C2	H6	118.283
C1	C2	H7	118.283	C1	C3	C2	59.960
C1	C3	H8	118.283	C1	C3	H9	118.283
C1	C4	H10	111.097	C1	C4	H13	111.097
C1	C4	H14	111.467	C1	C5	H11	111.097
C1	C5	H12	111.097	C1	C5	H15	111.467
C2	C1	C3	60.079	C2	C1	C4	117.953
C2	C1	C5	117.953	C2	C3	H8	117.984
C2	C3	H9	117.984	C3	C1	C4	117.953
C3	C1	C5	117.953	C3	C2	H6	117.984
C3	C2	H7	117.984	C4	C1	C5	114.431
H6	C2	H7	114.035	H8	C3	H9	114.035
H10	C4	H13	107.612	H10	C4	H14	107.694
H11	C5	H12	107.612	H11	C5	H15	107.694
H12	C5	H15	107.694	H13	C4	H14	107.694

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	0.081
2	C	-0.226
3	C	-0.226
4	C	-0.316
5	C	-0.316
6	H	0.102
7	H	0.102
8	H	0.102
9	H	0.102
10	H	0.101
11	H	0.101
12	H	0.101
13	H	0.095
14	H	0.095
15	H	0.101

<r²>	123.179
(<r²>)^1/2	11.099

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-)