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	hartrees
Energy at 0K	-196.248331
Energy at 298.15K	-196.258907
Nuclear repulsion energy	183.113864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3056	3039	17.21
2	A	3049	3031	26.51
3	A	2958	2941	43.40
4	A	1455	1447	0.35
5	A	1422	1414	6.41
6	A	1355	1347	0.00
7	A	1309	1301	1.60
8	A	1058	1052	0.28
9	A	987	981	6.77
10	A	935	930	11.30
11	A	685	681	1.16
12	A	340	338	0.01
13	A	3138	3119	0.00
14	A	3026	3009	0.00
15	A	1398	1390	0.00
16	A	1133	1127	0.00
17	A	1014	1008	0.00
18	A	849	844	0.00
19	A	319	317	0.00
20	A	210	209	0.00
21	A	3051	3033	21.16
22	A	3028	3010	53.12
23	A	1420	1411	6.41
24	A	1383	1375	3.95
25	A	1103	1097	6.18
26	A	1011	1005	0.67
27	A	843	838	3.98
28	A	379	377	1.05
29	A	238	236	0.01
30	A	3151	3133	20.71
31	A	3048	3030	14.87
32	A	2953	2936	35.14
33	A	1414	1406	3.80
34	A	1347	1339	6.44
35	A	1274	1267	1.33
36	A	933	927	0.90
37	A	919	914	0.06
38	A	758	754	0.01
39	A	346	344	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.152
C2	0.760	0.000	-1.161
C3	-0.760	0.000	-1.161
C4	0.000	1.278	0.975
C5	0.000	-1.278	0.975
H6	1.275	0.925	-1.462
H7	1.275	-0.925	-1.462
H8	-1.275	-0.925	-1.462
H9	-1.275	0.925	-1.462
H10	-0.896	1.332	1.629
H11	-0.896	-1.332	1.629
H12	0.896	-1.332	1.629
H13	0.896	1.332	1.629
H14	0.000	2.179	0.328
H15	0.000	-2.179	0.328

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5174	1.5174	1.5195	1.5195	2.2554	2.2554	2.2554	2.2554	2.1811	2.1811	2.1811	2.1811	2.1857	2.1857
C2	1.5174		1.5197	2.6021	2.6021	1.1007	1.1007	2.2556	2.2556	3.5071	3.5071	3.0944	3.0944	2.7463	2.7463
C3	1.5174	1.5197		2.6021	2.6021	2.2556	2.2556	1.1007	1.1007	3.0944	3.0944	3.5071	3.5071	2.7463	2.7463
C4	1.5195	2.6021	2.6021		2.5557	2.7723	3.5232	3.5232	2.7723	1.1110	2.8360	2.8360	1.1110	1.1086	3.5163
C5	1.5195	2.6021	2.6021	2.5557		3.5232	2.7723	2.7723	3.5232	2.8360	1.1110	1.1110	2.8360	3.5163	1.1086
H6	2.2554	1.1007	2.2556	2.7723	3.5232		1.8499	3.1509	2.5507	3.7988	4.4000	3.8453	3.1397	2.5302	3.8029
H7	2.2554	1.1007	2.2556	3.5232	2.7723	1.8499		2.5507	3.1509	4.4000	3.7988	3.1397	3.8453	3.8029	2.5302
H8	2.2554	2.2556	1.1007	3.5232	2.7723	3.1509	2.5507		1.8499	3.8453	3.1397	3.7988	4.4000	3.8029	2.5302
H9	2.2554	2.2556	1.1007	2.7723	3.5232	2.5507	3.1509	1.8499		3.1397	3.8453	4.4000	3.7988	2.5302	3.8029
H10	2.1811	3.5071	3.0944	1.1110	2.8360	3.7988	4.4000	3.8453	3.1397		2.6642	3.2113	1.7929	1.7919	3.8496
H11	2.1811	3.5071	3.0944	2.8360	1.1110	4.4000	3.7988	3.1397	3.8453	2.6642		1.7929	3.2113	3.8496	1.7919
H12	2.1811	3.0944	3.5071	2.8360	1.1110	3.8453	3.1397	3.7988	4.4000	3.2113	1.7929		2.6642	3.8496	1.7919
H13	2.1811	3.0944	3.5071	1.1110	2.8360	3.1397	3.8453	4.4000	3.7988	1.7929	3.2113	2.6642		1.7919	3.8496
H14	2.1857	2.7463	2.7463	1.1086	3.5163	2.5302	3.8029	3.8029	2.5302	1.7919	3.8496	3.8496	1.7919		4.3572
H15	2.1857	2.7463	2.7463	3.5163	1.1086	3.8029	2.5302	2.5302	3.8029	3.8496	1.7919	1.7919	3.8496	4.3572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.949	C1	C2	H6	118.087
C1	C2	H7	118.087	C1	C3	C2	59.949
C1	C3	H8	118.087	C1	C3	H9	118.087
C1	C4	H10	111.075	C1	C4	H13	111.075
C1	C4	H14	111.585	C1	C5	H11	111.075
C1	C5	H12	111.075	C1	C5	H15	111.585
C2	C1	C3	60.101	C2	C1	C4	117.928
C2	C1	C5	117.928	C2	C3	H8	117.926
C2	C3	H9	117.926	C3	C1	C4	117.928
C3	C1	C5	117.928	C3	C2	H6	117.926
C3	C2	H7	117.926	C4	C1	C5	114.485
H6	C2	H7	114.349	H8	C3	H9	114.349
H10	C4	H13	107.589	H10	C4	H14	107.666
H11	C5	H12	107.589	H11	C5	H15	107.666
H12	C5	H15	107.666	H13	C4	H14	107.666

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.294
2	C	-0.000
3	C	-0.000
4	C	0.022
5	C	0.022
6	H	0.023
7	H	0.023
8	H	0.023
9	H	0.023
10	H	0.030
11	H	0.030
12	H	0.030
13	H	0.030
14	H	0.019
15	H	0.019

<r²>	124.214
(<r²>)^1/2	11.145

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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