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	hartrees
Energy at 0K	-196.241059
Energy at 298.15K	-196.251652
HF Energy	-196.241059
Nuclear repulsion energy	183.328447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3024	12.87
2	A₁	3051	3001	37.37
3	A₁	2969	2920	42.23
4	A₁	1498	1474	0.14
5	A₁	1480	1456	5.23
6	A₁	1400	1377	0.05
7	A₁	1334	1312	1.95
8	A₁	1075	1058	0.81
9	A₁	1010	993	8.39
10	A₁	942	927	12.34
11	A₁	684	673	1.15
12	A₁	341	335	0.00
13	A₂	3146	3094	0.00
14	A₂	3030	2980	0.00
15	A₂	1462	1438	0.00
16	A₂	1160	1141	0.00
17	A₂	1042	1025	0.00
18	A₂	872	857	0.00
19	A₂	317	312	0.00
20	A₂	217	214	0.00
21	B₁	3071	3020	24.64
22	B₁	3032	2982	59.93
23	B₁	1482	1457	6.14
24	B₁	1442	1419	3.21
25	B₁	1131	1113	6.37
26	B₁	1030	1013	1.63
27	B₁	845	831	4.05
28	B₁	379	372	1.26
29	B₁	240	236	0.03
30	B₂	3160	3108	25.13
31	B₂	3049	2998	17.28
32	B₂	2964	2916	36.01
33	B₂	1476	1451	4.87
34	B₂	1388	1365	6.09
35	B₂	1298	1276	1.78
36	B₂	951	936	0.66
37	B₂	934	918	0.58
38	B₂	770	758	0.01
39	B₂	348	342	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.153
C2	0.760	0.000	-1.160
C3	-0.760	0.000	-1.160
C4	0.000	1.279	0.975
C5	0.000	-1.279	0.975
H6	1.274	0.919	-1.460
H7	1.274	-0.919	-1.460
H8	-1.274	-0.919	-1.460
H9	-1.274	0.919	-1.460
H10	-0.893	1.334	1.624
H11	-0.893	-1.334	1.624
H12	0.893	-1.334	1.624
H13	0.893	1.334	1.624
H14	0.000	2.173	0.326
H15	0.000	-2.173	0.326

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5171	1.5171	1.5204	1.5204	2.2518	2.2518	2.2518	2.2518	2.1775	2.1775	2.1775	2.1775	2.1795	2.1795
C2	1.5171		1.5191	2.6021	2.6021	1.0953	1.0953	2.2515	2.2515	3.5019	3.5019	3.0904	3.0904	2.7397	2.7397
C3	1.5171	1.5191		2.6021	2.6021	2.2515	2.2515	1.0953	1.0953	3.0904	3.0904	3.5019	3.5019	2.7397	2.7397
C4	1.5204	2.6021	2.6021		2.5588	2.7713	3.5193	3.5193	2.7713	1.1055	2.8374	2.8374	1.1055	1.1038	3.5124
C5	1.5204	2.6021	2.6021	2.5588		3.5193	2.7713	2.7713	3.5193	2.8374	1.1055	1.1055	2.8374	3.5124	1.1038
H6	2.2518	1.0953	2.2515	2.7713	3.5193		1.8389	3.1417	2.5474	3.7921	4.3917	3.8390	3.1354	2.5266	3.7913
H7	2.2518	1.0953	2.2515	3.5193	2.7713	1.8389		2.5474	3.1417	4.3917	3.7921	3.1354	3.8390	3.7913	2.5266
H8	2.2518	2.2515	1.0953	3.5193	2.7713	3.1417	2.5474		1.8389	3.8390	3.1354	3.7921	4.3917	3.7913	2.5266
H9	2.2518	2.2515	1.0953	2.7713	3.5193	2.5474	3.1417	1.8389		3.1354	3.8390	4.3917	3.7921	2.5266	3.7913
H10	2.1775	3.5019	3.0904	1.1055	2.8374	3.7921	4.3917	3.8390	3.1354		2.6686	3.2110	1.7858	1.7846	3.8446
H11	2.1775	3.5019	3.0904	2.8374	1.1055	4.3917	3.7921	3.1354	3.8390	2.6686		1.7858	3.2110	3.8446	1.7846
H12	2.1775	3.0904	3.5019	2.8374	1.1055	3.8390	3.1354	3.7921	4.3917	3.2110	1.7858		2.6686	3.8446	1.7846
H13	2.1775	3.0904	3.5019	1.1055	2.8374	3.1354	3.8390	4.3917	3.7921	1.7858	3.2110	2.6686		1.7846	3.8446
H14	2.1795	2.7397	2.7397	1.1038	3.5124	2.5266	3.7913	3.7913	2.5266	1.7846	3.8446	3.8446	1.7846		4.3452
H15	2.1795	2.7397	2.7397	3.5124	1.1038	3.7913	2.5266	2.5266	3.7913	3.8446	1.7846	1.7846	3.8446	4.3452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.957	C1	C2	H6	118.175
C1	C2	H7	118.175	C1	C3	C2	59.957
C1	C3	H8	118.175	C1	C3	H9	118.175
C1	C4	H10	111.053	C1	C4	H13	111.053
C1	C4	H14	111.318	C1	C5	H11	111.053
C1	C5	H12	111.053	C1	C5	H15	111.318
C2	C1	C3	60.085	C2	C1	C4	117.885
C2	C1	C5	117.885	C2	C3	H8	117.996
C2	C3	H9	117.996	C3	C1	C4	117.885
C3	C1	C5	117.885	C3	C2	H6	117.996
C3	C2	H7	117.996	C4	C1	C5	114.595
H6	C2	H7	114.154	H8	C3	H9	114.154
H10	C4	H13	107.736	H10	C4	H14	107.759
H11	C5	H12	107.736	H11	C5	H15	107.759
H12	C5	H15	107.759	H13	C4	H14	107.759

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

using model chemistry: PBEPBEultrafine/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	0.129
2	C	-0.342
3	C	-0.342
4	C	-0.500
5	C	-0.500
6	H	0.157
7	H	0.157
8	H	0.157
9	H	0.157
10	H	0.156
11	H	0.156
12	H	0.156
13	H	0.156
14	H	0.151
15	H	0.151

<r²>	123.759
(<r²>)^1/2	11.125

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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