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	hartrees
Energy at 0K	-195.923957
Energy at 298.15K
HF Energy	-195.148731
Nuclear repulsion energy	184.703264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3016	11.58
2	A	3194	2994	39.10
3	A	3104	2910	32.01
4	A	1590	1491	0.17
5	A	1568	1470	3.51
6	A	1486	1393	0.29
7	A	1416	1327	0.82
8	A	1135	1064	1.35
9	A	1100	1032	4.76
10	A	989	927	11.12
11	A	712	668	1.53
12	A	358	336	0.04
13	A	3295	3089	0.00
14	A	3178	2979	0.00
15	A	1545	1449	0.00
16	A	1231	1154	0.00
17	A	1103	1034	0.00
18	A	933	875	0.00
19	A	339	318	0.00
20	A	226	212	0.00
21	A	3210	3009	20.05
22	A	3181	2982	61.70
23	A	1563	1465	4.03
24	A	1529	1434	1.62
25	A	1213	1137	3.67
26	A	1124	1054	0.55
27	A	902	845	6.37
28	A	403	377	0.75
29	A	253	237	0.00
30	A	3307	3100	26.04
31	A	3191	2992	16.66
32	A	3100	2906	30.82
33	A	1559	1462	3.43
34	A	1475	1383	4.30
35	A	1375	1289	0.58
36	A	1004	942	0.38
37	A	988	926	0.27
38	A	814	764	0.22
39	A	367	344	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.755	0.000	-1.152
C3	-0.755	0.000	-1.152
C4	0.000	1.274	0.969
C5	0.000	-1.274	0.969
H6	1.262	0.909	-1.448
H7	1.262	-0.909	-1.448
H8	-1.262	-0.909	-1.448
H9	-1.262	0.909	-1.448
H10	-0.883	1.324	1.609
H11	-0.883	-1.324	1.609
H12	0.883	-1.324	1.609
H13	0.883	1.324	1.609
H14	0.000	2.154	0.325
H15	0.000	-2.154	0.325

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5053	1.5053	1.5144	1.5144	2.2302	2.2302	2.2302	2.2302	2.1595	2.1595	2.1595	2.1595	2.1607	2.1607
C2	1.5053		1.5104	2.5871	2.5871	1.0819	1.0819	2.2326	2.2326	3.4734	3.4734	3.0653	3.0653	2.7186	2.7186
C3	1.5053	1.5104		2.5871	2.5871	2.2326	2.2326	1.0819	1.0819	3.0653	3.0653	3.4734	3.4734	2.7186	2.7186
C4	1.5144	2.5871	2.5871		2.5473	2.7517	3.4930	3.4930	2.7517	1.0921	2.8174	2.8174	1.0921	1.0906	3.4873
C5	1.5144	2.5871	2.5871	2.5473		3.4930	2.7517	2.7517	3.4930	2.8174	1.0921	1.0921	2.8174	3.4873	1.0906
H6	2.2302	1.0819	2.2326	2.7517	3.4930		1.8172	3.1109	2.5250	3.7586	4.3519	3.8050	3.1090	2.5077	3.7571
H7	2.2302	1.0819	2.2326	3.4930	2.7517	1.8172		2.5250	3.1109	4.3519	3.7586	3.1090	3.8050	3.7571	2.5077
H8	2.2302	2.2326	1.0819	3.4930	2.7517	3.1109	2.5250		1.8172	3.8050	3.1090	3.7586	4.3519	3.7571	2.5077
H9	2.2302	2.2326	1.0819	2.7517	3.4930	2.5250	3.1109	1.8172		3.1090	3.8050	4.3519	3.7586	2.5077	3.7571
H10	2.1595	3.4734	3.0653	1.0921	2.8174	3.7586	4.3519	3.8050	3.1090		2.6480	3.1834	1.7669	1.7659	3.8110
H11	2.1595	3.4734	3.0653	2.8174	1.0921	4.3519	3.7586	3.1090	3.8050	2.6480		1.7669	3.1834	3.8110	1.7659
H12	2.1595	3.0653	3.4734	2.8174	1.0921	3.8050	3.1090	3.7586	4.3519	3.1834	1.7669		2.6480	3.8110	1.7659
H13	2.1595	3.0653	3.4734	1.0921	2.8174	3.1090	3.8050	4.3519	3.7586	1.7669	3.1834	2.6480		1.7659	3.8110
H14	2.1607	2.7186	2.7186	1.0906	3.4873	2.5077	3.7571	3.7571	2.5077	1.7659	3.8110	3.8110	1.7659		4.3073
H15	2.1607	2.7186	2.7186	3.4873	1.0906	3.7571	2.5077	2.5077	3.7571	3.8110	1.7659	1.7659	3.8110	4.3073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.887	C1	C2	H6	118.161
C1	C2	H7	118.161	C1	C3	C2	59.887
C1	C3	H8	118.161	C1	C3	H9	118.161
C1	C4	H10	110.848	C1	C4	H13	110.848
C1	C4	H14	111.037	C1	C5	H11	110.848
C1	C5	H12	110.848	C1	C5	H15	111.037
C2	C1	C3	60.226	C2	C1	C4	117.906
C2	C1	C5	117.906	C2	C3	H8	117.960
C2	C3	H9	117.960	C3	C1	C4	117.906
C3	C1	C5	117.906	C3	C2	H6	117.960
C3	C2	H7	117.960	C4	C1	C5	114.492
H6	C2	H7	114.240	H8	C3	H9	114.240
H10	C4	H13	107.981	H10	C4	H14	108.000
H11	C5	H12	107.981	H11	C5	H15	108.000
H12	C5	H15	108.000	H13	C4	H14	108.000

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

using model chemistry: CCD/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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All results from a given calculation for C5H10 (Cyclopropane, 1,1-dimethyl-)

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

States and conformations

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