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	hartrees
Energy at 0K	-195.444200
Energy at 298.15K	-195.454795
Nuclear repulsion energy	185.089895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3070	3023	8.66
2	A	3054	3008	29.91
3	A	2961	2917	39.37
4	A	1477	1455	0.80
5	A	1434	1412	12.35
6	A	1364	1344	1.59
7	A	1325	1305	0.01
8	A	1069	1053	0.07
9	A	986	971	17.09
10	A	950	936	19.87
11	A	703	693	1.90
12	A	336	331	0.03
13	A	3150	3103	0.00
14	A	3037	2991	0.00
15	A	1406	1385	0.00
16	A	1132	1115	0.00
17	A	1015	999	0.00
18	A	851	838	0.00
19	A	323	318	0.00
20	A	217	214	0.00
21	A	3066	3020	19.19
22	A	3036	2991	44.53
23	A	1428	1407	10.85
24	A	1394	1373	12.30
25	A	1114	1098	5.60
26	A	1013	998	1.67
27	A	862	849	4.05
28	A	378	372	1.20
29	A	243	239	0.02
30	A	3162	3114	13.42
31	A	3053	3007	11.47
32	A	2958	2914	37.50
33	A	1423	1402	5.38
34	A	1362	1341	20.94
35	A	1289	1269	1.69
36	A	942	928	1.11
37	A	921	907	0.11
38	A	764	752	0.05
39	A	342	337	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.752	0.000	-1.145
C3	-0.752	0.000	-1.145
C4	0.000	1.262	0.961
C5	0.000	-1.262	0.961
H6	1.267	0.921	-1.442
H7	1.267	-0.921	-1.442
H8	-1.267	-0.921	-1.442
H9	-1.267	0.921	-1.442
H10	-0.893	1.317	1.611
H11	-0.893	-1.317	1.611
H12	0.893	-1.317	1.611
H13	0.893	1.317	1.611
H14	0.000	2.156	0.313
H15	0.000	-2.156	0.313

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4989	1.4989	1.4989	1.4989	2.2344	2.2344	2.2344	2.2344	2.1593	2.1593	2.1593	2.1593	2.1616	2.1616
C2	1.4989		1.5043	2.5676	2.5676	1.0960	1.0960	2.2389	2.2389	3.4695	3.4695	3.0581	3.0581	2.7089	2.7089
C3	1.4989	1.5043		2.5676	2.5676	2.2389	2.2389	1.0960	1.0960	3.0581	3.0581	3.4695	3.4695	2.7089	2.7089
C4	1.4989	2.5676	2.5676		2.5230	2.7379	3.4846	3.4846	2.7379	1.1058	2.8051	2.8051	1.1058	1.1041	3.4779
C5	1.4989	2.5676	2.5676	2.5230		3.4846	2.7379	2.7379	3.4846	2.8051	1.1058	1.1058	2.8051	3.4779	1.1041
H6	2.2344	1.0960	2.2389	2.7379	3.4846		1.8417	3.1324	2.5338	3.7608	4.3583	3.8041	3.1016	2.4920	3.7616
H7	2.2344	1.0960	2.2389	3.4846	2.7379	1.8417		2.5338	3.1324	4.3583	3.7608	3.1016	3.8041	3.7616	2.4920
H8	2.2344	2.2389	1.0960	3.4846	2.7379	3.1324	2.5338		1.8417	3.8041	3.1016	3.7608	4.3583	3.7616	2.4920
H9	2.2344	2.2389	1.0960	2.7379	3.4846	2.5338	3.1324	1.8417		3.1016	3.8041	4.3583	3.7608	2.4920	3.7616
H10	2.1593	3.4695	3.0581	1.1058	2.8051	3.7608	4.3583	3.8041	3.1016		2.6340	3.1821	1.7854	1.7847	3.8132
H11	2.1593	3.4695	3.0581	2.8051	1.1058	4.3583	3.7608	3.1016	3.8041	2.6340		1.7854	3.1821	3.8132	1.7847
H12	2.1593	3.0581	3.4695	2.8051	1.1058	3.8041	3.1016	3.7608	4.3583	3.1821	1.7854		2.6340	3.8132	1.7847
H13	2.1593	3.0581	3.4695	1.1058	2.8051	3.1016	3.8041	4.3583	3.7608	1.7854	3.1821	2.6340		1.7847	3.8132
H14	2.1616	2.7089	2.7089	1.1041	3.4779	2.4920	3.7616	3.7616	2.4920	1.7847	3.8132	3.8132	1.7847		4.3110
H15	2.1616	2.7089	2.7089	3.4779	1.1041	3.7616	2.4920	2.4920	3.7616	3.8132	1.7847	1.7847	3.8132	4.3110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.881	C1	C2	H6	118.040
C1	C2	H7	118.040	C1	C3	C2	59.881
C1	C3	H8	118.040	C1	C3	H9	118.040
C1	C4	H10	111.091	C1	C4	H13	111.091
C1	C4	H14	111.378	C1	C5	H11	111.091
C1	C5	H12	111.091	C1	C5	H15	111.378
C2	C1	C3	60.238	C2	C1	C4	117.851
C2	C1	C5	117.851	C2	C3	H8	118.013
C2	C3	H9	118.013	C3	C1	C4	117.851
C3	C1	C5	117.851	C3	C2	H6	118.013
C3	C2	H7	118.013	C4	C1	C5	114.620
H6	C2	H7	114.327	H8	C3	H9	114.327
H10	C4	H13	107.660	H10	C4	H14	107.724
H11	C5	H12	107.660	H11	C5	H15	107.724
H12	C5	H15	107.724	H13	C4	H14	107.724

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

using model chemistry: LSDA/6-31+G**

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	0.008
2	C	-0.340
3	C	-0.340
4	C	-0.572
5	C	-0.572
6	H	0.181
7	H	0.181
8	H	0.181
9	H	0.181
10	H	0.185
11	H	0.185
12	H	0.185
13	H	0.185
14	H	0.175
15	H	0.175

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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