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	hartrees
Energy at 0K	-196.503306
Energy at 298.15K	-196.514070
Nuclear repulsion energy	184.857865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3015	10.70
2	A	3135	2993	34.48
3	A	3047	2909	36.16
4	A	1527	1458	0.26
5	A	1504	1436	5.81
6	A	1425	1361	0.02
7	A	1370	1308	1.79
8	A	1106	1056	0.63
9	A	1049	1001	5.89
10	A	971	927	12.13
11	A	706	674	1.35
12	A	345	329	0.00
13	A	3236	3090	0.00
14	A	3115	2974	0.00
15	A	1480	1413	0.00
16	A	1191	1137	0.00
17	A	1068	1020	0.00
18	A	894	854	0.00
19	A	329	314	0.00
20	A	215	206	0.00
21	A	3153	3010	21.76
22	A	3118	2976	51.24
23	A	1501	1433	5.45
24	A	1468	1401	3.86
25	A	1163	1111	6.64
26	A	1078	1029	0.64
27	A	878	838	5.23
28	A	393	376	0.98
29	A	243	232	0.01
30	A	3250	3103	19.65
31	A	3133	2991	15.08
32	A	3043	2905	32.22
33	A	1495	1427	3.91
34	A	1414	1350	8.11
35	A	1331	1270	1.11
36	A	973	929	0.63
37	A	961	917	0.21
38	A	789	754	0.01
39	A	353	337	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.753	0.000	-1.151
C3	-0.753	0.000	-1.151
C4	0.000	1.270	0.967
C5	0.000	-1.270	0.967
H6	1.261	0.910	-1.449
H7	1.261	-0.910	-1.449
H8	-1.261	-0.910	-1.449
H9	-1.261	0.910	-1.449
H10	-0.884	1.325	1.611
H11	-0.884	-1.325	1.611
H12	0.884	-1.325	1.611
H13	0.884	1.325	1.611
H14	0.000	2.156	0.326
H15	0.000	-2.156	0.326

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5036	1.5036	1.5099	1.5099	2.2309	2.2309	2.2309	2.2309	2.1611	2.1611	2.1611	2.1611	2.1633	2.1633
C2	1.5036		1.5055	2.5818	2.5818	1.0841	1.0841	2.2301	2.2301	3.4734	3.4734	3.0666	3.0666	2.7200	2.7200
C3	1.5036	1.5055		2.5818	2.5818	2.2301	2.2301	1.0841	1.0841	3.0666	3.0666	3.4734	3.4734	2.7200	2.7200
C4	1.5099	2.5818	2.5818		2.5404	2.7489	3.4899	3.4899	2.7489	1.0951	2.8162	2.8162	1.0951	1.0933	3.4858
C5	1.5099	2.5818	2.5818	2.5404		3.4899	2.7489	2.7489	3.4899	2.8162	1.0951	1.0951	2.8162	3.4858	1.0933
H6	2.2309	1.0841	2.2301	2.7489	3.4899		1.8198	3.1107	2.5228	3.7601	4.3543	3.8081	3.1112	2.5090	3.7607
H7	2.2309	1.0841	2.2301	3.4899	2.7489	1.8198		2.5228	3.1107	4.3543	3.7601	3.1112	3.8081	3.7607	2.5090
H8	2.2309	2.2301	1.0841	3.4899	2.7489	3.1107	2.5228		1.8198	3.8081	3.1112	3.7601	4.3543	3.7607	2.5090
H9	2.2309	2.2301	1.0841	2.7489	3.4899	2.5228	3.1107	1.8198		3.1112	3.8081	4.3543	3.7601	2.5090	3.7607
H10	2.1611	3.4734	3.0666	1.0951	2.8162	3.7601	4.3543	3.8081	3.1112		2.6497	3.1851	1.7674	1.7673	3.8144
H11	2.1611	3.4734	3.0666	2.8162	1.0951	4.3543	3.7601	3.1112	3.8081	2.6497		1.7674	3.1851	3.8144	1.7673
H12	2.1611	3.0666	3.4734	2.8162	1.0951	3.8081	3.1112	3.7601	4.3543	3.1851	1.7674		2.6497	3.8144	1.7673
H13	2.1611	3.0666	3.4734	1.0951	2.8162	3.1112	3.8081	4.3543	3.7601	1.7674	3.1851	2.6497		1.7673	3.8144
H14	2.1633	2.7200	2.7200	1.0933	3.4858	2.5090	3.7607	3.7607	2.5090	1.7673	3.8144	3.8144	1.7673		4.3123
H15	2.1633	2.7200	2.7200	3.4858	1.0933	3.7607	2.5090	2.5090	3.7607	3.8144	1.7673	1.7673	3.8144	4.3123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.959	C1	C2	H6	118.202
C1	C2	H7	118.202	C1	C3	C2	59.959
C1	C3	H8	118.202	C1	C3	H9	118.202
C1	C4	H10	111.110	C1	C4	H13	111.110
C1	C4	H14	111.403	C1	C5	H11	111.110
C1	C5	H12	111.110	C1	C5	H15	111.403
C2	C1	C3	60.081	C2	C1	C4	117.906
C2	C1	C5	117.906	C2	C3	H8	117.983
C2	C3	H9	117.983	C3	C1	C4	117.906
C3	C1	C5	117.906	C3	C2	H6	117.983
C3	C2	H7	117.983	C4	C1	C5	114.544
H6	C2	H7	114.136	H8	C3	H9	114.136
H10	C4	H13	107.595	H10	C4	H14	107.722
H11	C5	H12	107.595	H11	C5	H15	107.722
H12	C5	H15	107.722	H13	C4	H14	107.722

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.299
2	C	-0.336
3	C	-0.336
4	C	-0.502
5	C	-0.502
6	H	0.136
7	H	0.136
8	H	0.136
9	H	0.136
10	H	0.139
11	H	0.139
12	H	0.139
13	H	0.139
14	H	0.137
15	H	0.137

<r²>	121.944
(<r²>)^1/2	11.043

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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