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	hartrees
Energy at 0K	-194.021589
Energy at 298.15K	-194.031815
Nuclear repulsion energy	179.955922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3373	3121	4.28
2	A	3292	3045	0.18
3	A	3203	2963	5.30
4	A	1651	1527	1.48
5	A	1594	1474	1.31
6	A	1533	1418	1.55
7	A	1419	1313	5.18
8	A	1171	1084	1.81
9	A	1111	1028	0.61
10	A	992	917	7.28
11	A	706	653	0.33
12	A	344	318	0.05
13	A	3433	3176	0.00
14	A	3356	3105	0.00
15	A	1633	1511	0.00
16	A	1244	1151	0.00
17	A	1110	1027	0.00
18	A	939	869	0.00
19	A	322	298	0.00
20	A	179	165	0.00
21	A	3356	3105	7.04
22	A	3286	3040	0.28
23	A	1640	1518	4.01
24	A	1562	1446	0.16
25	A	1224	1132	11.33
26	A	1150	1064	1.97
27	A	904	837	1.02
28	A	393	364	1.22
29	A	198	183	0.01
30	A	3440	3183	0.39
31	A	3371	3119	1.52
32	A	3202	2962	5.77
33	A	1642	1519	1.95
34	A	1521	1407	0.36
35	A	1372	1269	7.32
36	A	1028	951	1.12
37	A	974	901	0.55
38	A	822	760	0.02
39	A	354	328	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.156
C2	0.772	0.000	-1.191
C3	-0.772	0.000	-1.191
C4	0.000	1.309	1.002
C5	0.000	-1.309	1.002
H6	1.289	0.927	-1.494
H7	1.289	-0.927	-1.494
H8	-1.289	-0.927	-1.494
H9	-1.289	0.927	-1.494
H10	-0.899	1.352	1.653
H11	-0.899	-1.352	1.653
H12	0.899	-1.352	1.653
H13	0.899	1.352	1.653
H14	0.000	2.203	0.347
H15	0.000	-2.203	0.347

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5529	1.5529	1.5591	1.5591	2.2895	2.2895	2.2895	2.2895	2.2079	2.2079	2.2079	2.2079	2.2112	2.2112
C2	1.5529		1.5440	2.6689	2.6689	1.1032	1.1032	2.2795	2.2795	3.5647	3.5647	3.1515	3.1515	2.7956	2.7956
C3	1.5529	1.5440		2.6689	2.6689	2.2795	2.2795	1.1032	1.1032	3.1515	3.1515	3.5647	3.5647	2.7956	2.7956
C4	1.5591	2.6689	2.6689		2.6187	2.8353	3.5906	3.5906	2.8353	1.1100	2.8831	2.8831	1.1100	1.1082	3.5730
C5	1.5591	2.6689	2.6689	2.6187		3.5906	2.8353	2.8353	3.5906	2.8831	1.1100	1.1100	2.8831	3.5730	1.1082
H6	2.2895	1.1032	2.2795	2.8353	3.5906		1.8533	3.1742	2.5771	3.8557	4.4583	3.9045	3.1992	2.5843	3.8527
H7	2.2895	1.1032	2.2795	3.5906	2.8353	1.8533		2.5771	3.1742	4.4583	3.8557	3.1992	3.9045	3.8527	2.5843
H8	2.2895	2.2795	1.1032	3.5906	2.8353	3.1742	2.5771		1.8533	3.9045	3.1992	3.8557	4.4583	3.8527	2.5843
H9	2.2895	2.2795	1.1032	2.8353	3.5906	2.5771	3.1742	1.8533		3.1992	3.9045	4.4583	3.8557	2.5843	3.8527
H10	2.2079	3.5647	3.1515	1.1100	2.8831	3.8557	4.4583	3.9045	3.1992		2.7035	3.2464	1.7972	1.7992	3.8921
H11	2.2079	3.5647	3.1515	2.8831	1.1100	4.4583	3.8557	3.1992	3.9045	2.7035		1.7972	3.2464	3.8921	1.7992
H12	2.2079	3.1515	3.5647	2.8831	1.1100	3.9045	3.1992	3.8557	4.4583	3.2464	1.7972		2.7035	3.8921	1.7992
H13	2.2079	3.1515	3.5647	1.1100	2.8831	3.1992	3.9045	4.4583	3.8557	1.7972	3.2464	2.7035		1.7992	3.8921
H14	2.2112	2.7956	2.7956	1.1082	3.5730	2.5843	3.8527	3.8527	2.5843	1.7992	3.8921	3.8921	1.7992		4.4059
H15	2.2112	2.7956	2.7956	3.5730	1.1082	3.8527	2.5843	2.5843	3.8527	3.8921	1.7992	1.7992	3.8921	4.4059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.189	C1	C2	H6	118.086
C1	C2	H7	118.086	C1	C3	C2	60.189
C1	C3	H8	118.086	C1	C3	H9	118.086
C1	C4	H10	110.493	C1	C4	H13	110.493
C1	C4	H14	110.859	C1	C5	H11	110.493
C1	C5	H12	110.493	C1	C5	H15	110.859
C2	C1	C3	59.622	C2	C1	C4	118.101
C2	C1	C5	118.101	C2	C3	H8	117.918
C2	C3	H9	117.918	C3	C1	C4	118.101
C3	C1	C5	118.101	C3	C2	H6	117.918
C3	C2	H7	117.918	C4	C1	C5	114.243
H6	C2	H7	114.270	H8	C3	H9	114.270
H10	C4	H13	108.101	H10	C4	H14	108.404
H11	C5	H12	108.101	H11	C5	H15	108.404
H12	C5	H15	108.404	H13	C4	H14	108.404

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

using model chemistry: BLYP/STO-3G

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	0.009
2	C	-0.162
3	C	-0.162
4	C	-0.211
5	C	-0.211
6	H	0.075
7	H	0.075
8	H	0.075
9	H	0.075
10	H	0.073
11	H	0.073
12	H	0.073
13	H	0.073
14	H	0.072
15	H	0.072

<r²>	126.698
(<r²>)^1/2	11.256

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

using model chemistry: BLYP/STO-3G

States and conformations

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