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	hartrees
Energy at 0K	-196.603408
Energy at 298.15K	-196.614193
HF Energy	-196.603408
Nuclear repulsion energy	184.635160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	3017	12.52
2	A₁	3085	2982	38.79
3	A₁	3015	2914	46.60
4	A₁	1519	1468	0.01
5	A₁	1505	1455	6.36
6	A₁	1426	1379	0.06
7	A₁	1351	1306	1.89
8	A₁	1086	1050	0.25
9	A₁	1042	1008	9.97
10	A₁	943	912	10.72
11	A₁	685	662	1.51
12	A₁	353	341	0.04
13	A₂	3190	3083	0.00
14	A₂	3061	2959	0.00
15	A₂	1484	1435	0.00
16	A₂	1189	1149	0.00
17	A₂	1067	1031	0.00
18	A₂	902	872	0.00
19	A₂	329	318	0.00
20	A₂	218	211	0.00
21	B₁	3117	3013	27.62
22	B₁	3064	2962	65.56
23	B₁	1502	1452	6.40
24	B₁	1473	1424	4.45
25	B₁	1160	1121	4.31
26	B₁	1078	1042	0.54
27	B₁	848	820	6.47
28	B₁	396	383	0.97
29	B₁	242	234	0.00
30	B₂	3204	3097	26.89
31	B₂	3083	2980	20.17
32	B₂	3010	2909	33.52
33	B₂	1496	1446	4.51
34	B₂	1414	1367	7.14
35	B₂	1318	1274	1.37
36	B₂	976	944	0.35
37	B₂	947	915	0.21
38	B₂	792	765	0.00
39	B₂	362	350	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.756	0.000	-1.153
C3	-0.756	0.000	-1.153
C4	0.000	1.273	0.969
C5	0.000	-1.273	0.969
H6	1.263	0.908	-1.450
H7	1.263	-0.908	-1.450
H8	-1.263	-0.908	-1.450
H9	-1.263	0.908	-1.450
H10	-0.883	1.326	1.611
H11	-0.883	-1.326	1.611
H12	0.883	-1.326	1.611
H13	0.883	1.326	1.611
H14	0.000	2.156	0.328
H15	0.000	-2.156	0.328

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5074	1.5074	1.5131	1.5131	2.2324	2.2324	2.2324	2.2324	2.1605	2.1605	2.1605	2.1605	2.1633	2.1633
C2	1.5074		1.5128	2.5872	2.5872	1.0816	1.0816	2.2339	2.2339	3.4759	3.4759	3.0677	3.0677	2.7229	2.7229
C3	1.5074	1.5128		2.5872	2.5872	2.2339	2.2339	1.0816	1.0816	3.0677	3.0677	3.4759	3.4759	2.7229	2.7229
C4	1.5131	2.5872	2.5872		2.5464	2.7527	3.4934	3.4934	2.7527	1.0929	2.8191	2.8191	1.0929	1.0908	3.4886
C5	1.5131	2.5872	2.5872	2.5464		3.4934	2.7527	2.7527	3.4934	2.8191	1.0929	1.0929	2.8191	3.4886	1.0908
H6	2.2324	1.0816	2.2339	2.7527	3.4934		1.8169	3.1110	2.5253	3.7610	4.3547	3.8085	3.1123	2.5125	3.7613
H7	2.2324	1.0816	2.2339	3.4934	2.7527	1.8169		2.5253	3.1110	4.3547	3.7610	3.1123	3.8085	3.7613	2.5125
H8	2.2324	2.2339	1.0816	3.4934	2.7527	3.1110	2.5253		1.8169	3.8085	3.1123	3.7610	4.3547	3.7613	2.5125
H9	2.2324	2.2339	1.0816	2.7527	3.4934	2.5253	3.1110	1.8169		3.1123	3.8085	4.3547	3.7610	2.5125	3.7613
H10	2.1605	3.4759	3.0677	1.0929	2.8191	3.7610	4.3547	3.8085	3.1123		2.6520	3.1860	1.7658	1.7645	3.8143
H11	2.1605	3.4759	3.0677	2.8191	1.0929	4.3547	3.7610	3.1123	3.8085	2.6520		1.7658	3.1860	3.8143	1.7645
H12	2.1605	3.0677	3.4759	2.8191	1.0929	3.8085	3.1123	3.7610	4.3547	3.1860	1.7658		2.6520	3.8143	1.7645
H13	2.1605	3.0677	3.4759	1.0929	2.8191	3.1123	3.8085	4.3547	3.7610	1.7658	3.1860	2.6520		1.7645	3.8143
H14	2.1633	2.7229	2.7229	1.0908	3.4886	2.5125	3.7613	3.7613	2.5125	1.7645	3.8143	3.8143	1.7645		4.3122
H15	2.1633	2.7229	2.7229	3.4886	1.0908	3.7613	2.5125	2.5125	3.7613	3.8143	1.7645	1.7645	3.8143	4.3122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.883	C1	C2	H6	118.202
C1	C2	H7	118.202	C1	C3	C2	59.883
C1	C3	H8	118.202	C1	C3	H9	118.202
C1	C4	H10	110.979	C1	C4	H13	110.979
C1	C4	H14	111.334	C1	C5	H11	110.979
C1	C5	H12	110.979	C1	C5	H15	111.334
C2	C1	C3	60.233	C2	C1	C4	117.863
C2	C1	C5	117.863	C2	C3	H8	117.909
C2	C3	H9	117.909	C3	C1	C4	117.863
C3	C1	C5	117.863	C3	C2	H6	117.909
C3	C2	H7	117.909	C4	C1	C5	114.592
H6	C2	H7	114.253	H8	C3	H9	114.253
H10	C4	H13	107.773	H10	C4	H14	107.810
H11	C5	H12	107.773	H11	C5	H15	107.810
H12	C5	H15	107.810	H13	C4	H14	107.810

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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	0.189
2	C	-0.244
3	C	-0.244
4	C	-0.303
5	C	-0.303
6	H	0.093
7	H	0.093
8	H	0.093
9	H	0.093
10	H	0.091
11	H	0.091
12	H	0.091
13	H	0.091
14	H	0.085
15	H	0.085

	x	y	z
x	8.257	0.000	0.000
y	0.000	8.701	-0.000
z	0.000	-0.000	9.252

<r²>	122.925
(<r²>)^1/2	11.087

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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