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	hartrees
Energy at 0K	-195.371534
Energy at 298.15K	-195.382235
Nuclear repulsion energy	184.494803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3094	3032	6.17
2	A	3065	3003	33.26
3	A	2968	2907	33.93
4	A	1499	1469	0.21
5	A	1475	1445	12.78
6	A	1401	1372	2.03
7	A	1369	1342	0.08
8	A	1090	1068	1.96
9	A	1036	1015	25.30
10	A	966	946	15.37
11	A	706	692	1.76
12	A	344	337	0.01
13	A	3174	3110	0.00
14	A	3049	2987	0.00
15	A	1455	1426	0.00
16	A	1164	1140	0.00
17	A	1047	1026	0.00
18	A	883	865	0.00
19	A	323	317	0.00
20	A	218	214	0.00
21	A	3088	3025	14.60
22	A	3050	2988	48.96
23	A	1474	1444	9.79
24	A	1444	1415	13.78
25	A	1159	1135	13.52
26	A	1069	1047	1.26
27	A	860	842	3.72
28	A	386	379	2.02
29	A	241	236	0.06
30	A	3189	3124	16.71
31	A	3063	3000	12.77
32	A	2964	2904	33.58
33	A	1471	1441	7.04
34	A	1390	1362	26.13
35	A	1335	1308	0.01
36	A	965	946	2.23
37	A	950	931	0.10
38	A	786	770	0.05
39	A	351	343	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.154
C2	0.756	0.000	-1.153
C3	-0.756	0.000	-1.153
C4	0.000	1.262	0.967
C5	0.000	-1.262	0.967
H6	1.275	0.918	-1.449
H7	1.275	-0.918	-1.449
H8	-1.275	-0.918	-1.449
H9	-1.275	0.918	-1.449
H10	-0.893	1.316	1.618
H11	-0.893	-1.316	1.618
H12	0.893	-1.316	1.618
H13	0.893	1.316	1.618
H14	0.000	2.157	0.318
H15	0.000	-2.157	0.318

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5099	1.5099	1.5014	1.5014	2.2439	2.2439	2.2439	2.2439	2.1614	2.1614	2.1614	2.1614	2.1636	2.1636
C2	1.5099		1.5112	2.5805	2.5805	1.0948	1.0948	2.2475	2.2475	3.4827	3.4827	3.0707	3.0707	2.7186	2.7186
C3	1.5099	1.5112		2.5805	2.5805	2.2475	2.2475	1.0948	1.0948	3.0707	3.0707	3.4827	3.4827	2.7186	2.7186
C4	1.5014	2.5805	2.5805		2.5245	2.7529	3.4944	3.4944	2.7529	1.1066	2.8049	2.8049	1.1066	1.1053	3.4805
C5	1.5014	2.5805	2.5805	2.5245		3.4944	2.7529	2.7529	3.4944	2.8049	1.1066	1.1066	2.8049	3.4805	1.1053
H6	2.2439	1.0948	2.2475	2.7529	3.4944		1.8350	3.1412	2.5495	3.7765	4.3693	3.8126	3.1156	2.5068	3.7685
H7	2.2439	1.0948	2.2475	3.4944	2.7529	1.8350		2.5495	3.1412	4.3693	3.7765	3.1156	3.8126	3.7685	2.5068
H8	2.2439	2.2475	1.0948	3.4944	2.7529	3.1412	2.5495		1.8350	3.8126	3.1156	3.7765	4.3693	3.7685	2.5068
H9	2.2439	2.2475	1.0948	2.7529	3.4944	2.5495	3.1412	1.8350		3.1156	3.8126	4.3693	3.7765	2.5068	3.7685
H10	2.1614	3.4827	3.0707	1.1066	2.8049	3.7765	4.3693	3.8126	3.1156		2.6313	3.1804	1.7866	1.7875	3.8142
H11	2.1614	3.4827	3.0707	2.8049	1.1066	4.3693	3.7765	3.1156	3.8126	2.6313		1.7866	3.1804	3.8142	1.7875
H12	2.1614	3.0707	3.4827	2.8049	1.1066	3.8126	3.1156	3.7765	4.3693	3.1804	1.7866		2.6313	3.8142	1.7875
H13	2.1614	3.0707	3.4827	1.1066	2.8049	3.1156	3.8126	4.3693	3.7765	1.7866	3.1804	2.6313		1.7875	3.8142
H14	2.1636	2.7186	2.7186	1.1053	3.4805	2.5068	3.7685	3.7685	2.5068	1.7875	3.8142	3.8142	1.7875		4.3146
H15	2.1636	2.7186	2.7186	3.4805	1.1053	3.7685	2.5068	2.5068	3.7685	3.8142	1.7875	1.7875	3.8142	4.3146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.971	C1	C2	H6	118.089
C1	C2	H7	118.089	C1	C3	C2	59.971
C1	C3	H8	118.089	C1	C3	H9	118.089
C1	C4	H10	111.043	C1	C4	H13	111.043
C1	C4	H14	111.294	C1	C5	H11	111.043
C1	C5	H12	111.043	C1	C5	H15	111.294
C2	C1	C3	60.058	C2	C1	C4	117.953
C2	C1	C5	117.953	C2	C3	H8	118.306
C2	C3	H9	118.306	C3	C1	C4	117.953
C3	C1	C5	117.953	C3	C2	H6	118.306
C3	C2	H7	118.306	C4	C1	C5	114.438
H6	C2	H7	113.876	H8	C3	H9	113.876
H10	C4	H13	107.648	H10	C4	H14	107.825
H11	C5	H12	107.648	H11	C5	H15	107.825
H12	C5	H15	107.825	H13	C4	H14	107.825

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

using model chemistry: LSDA/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	0.060
2	C	-0.335
3	C	-0.335
4	C	-0.500
5	C	-0.500
6	H	0.163
7	H	0.163
8	H	0.163
9	H	0.163
10	H	0.163
11	H	0.163
12	H	0.163
13	H	0.163
14	H	0.155
15	H	0.155

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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