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	hartrees
Energy at 0K	-196.608697
Energy at 298.15K	-196.619453
HF Energy	-196.608697
Nuclear repulsion energy	184.635125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	3008	12.14
2	A₁	3089	2974	37.86
3	A₁	3018	2905	46.40
4	A₁	1520	1463	0.07
5	A₁	1505	1449	6.70
6	A₁	1426	1372	0.08
7	A₁	1353	1302	1.87
8	A₁	1085	1045	0.24
9	A₁	1042	1003	10.08
10	A₁	944	909	11.02
11	A₁	686	660	1.65
12	A₁	352	339	0.05
13	A₂	3194	3075	0.00
14	A₂	3065	2951	0.00
15	A₂	1483	1427	0.00
16	A₂	1188	1144	0.00
17	A₂	1067	1027	0.00
18	A₂	903	869	0.00
19	A₂	331	319	0.00
20	A₂	214	206	0.00
21	B₁	3120	3004	26.68
22	B₁	3068	2953	63.64
23	B₁	1501	1445	6.26
24	B₁	1475	1419	5.13
25	B₁	1159	1116	4.10
26	B₁	1077	1037	0.58
27	B₁	849	817	6.50
28	B₁	397	382	0.99
29	B₁	240	231	0.00
30	B₂	3209	3089	25.85
31	B₂	3087	2972	19.49
32	B₂	3013	2900	33.79
33	B₂	1496	1440	4.43
34	B₂	1413	1360	7.50
35	B₂	1317	1268	1.33
36	B₂	975	939	0.33
37	B₂	949	913	0.21
38	B₂	793	763	0.00
39	B₂	361	347	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.755	0.000	-1.153
C3	-0.755	0.000	-1.153
C4	0.000	1.274	0.970
C5	0.000	-1.274	0.970
H6	1.261	0.908	-1.454
H7	1.261	-0.908	-1.454
H8	-1.261	-0.908	-1.454
H9	-1.261	0.908	-1.454
H10	-0.882	1.326	1.613
H11	-0.882	-1.326	1.613
H12	0.882	-1.326	1.613
H13	0.882	1.326	1.613
H14	0.000	2.159	0.333
H15	0.000	-2.159	0.333

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5063	1.5063	1.5147	1.5147	2.2329	2.2329	2.2329	2.2329	2.1628	2.1628	2.1628	2.1628	2.1670	2.1670
C2	1.5063		1.5096	2.5885	2.5885	1.0819	1.0819	2.2308	2.2308	3.4774	3.4774	3.0706	3.0706	2.7278	2.7278
C3	1.5063	1.5096		2.5885	2.5885	2.2308	2.2308	1.0819	1.0819	3.0706	3.0706	3.4774	3.4774	2.7278	2.7278
C4	1.5147	2.5885	2.5885		2.5473	2.7563	3.4961	3.4961	2.7563	1.0930	2.8200	2.8200	1.0930	1.0909	3.4915
C5	1.5147	2.5885	2.5885	2.5473		3.4961	2.7563	2.7563	3.4961	2.8200	1.0930	1.0930	2.8200	3.4915	1.0909
H6	2.2329	1.0819	2.2308	2.7563	3.4961		1.8159	3.1072	2.5213	3.7646	4.3577	3.8132	3.1182	2.5193	3.7669
H7	2.2329	1.0819	2.2308	3.4961	2.7563	1.8159		2.5213	3.1072	4.3577	3.7646	3.1182	3.8132	3.7669	2.5193
H8	2.2329	2.2308	1.0819	3.4961	2.7563	3.1072	2.5213		1.8159	3.8132	3.1182	3.7646	4.3577	3.7669	2.5193
H9	2.2329	2.2308	1.0819	2.7563	3.4961	2.5213	3.1072	1.8159		3.1182	3.8132	4.3577	3.7646	2.5193	3.7669
H10	2.1628	3.4774	3.0706	1.0930	2.8200	3.7646	4.3577	3.8132	3.1182		2.6528	3.1860	1.7646	1.7637	3.8166
H11	2.1628	3.4774	3.0706	2.8200	1.0930	4.3577	3.7646	3.1182	3.8132	2.6528		1.7646	3.1860	3.8166	1.7637
H12	2.1628	3.0706	3.4774	2.8200	1.0930	3.8132	3.1182	3.7646	4.3577	3.1860	1.7646		2.6528	3.8166	1.7637
H13	2.1628	3.0706	3.4774	1.0930	2.8200	3.1182	3.8132	4.3577	3.7646	1.7646	3.1860	2.6528		1.7637	3.8166
H14	2.1670	2.7278	2.7278	1.0909	3.4915	2.5193	3.7669	3.7669	2.5193	1.7637	3.8166	3.8166	1.7637		4.3185
H15	2.1670	2.7278	2.7278	3.4915	1.0909	3.7669	2.5193	2.5193	3.7669	3.8166	1.7637	1.7637	3.8166	4.3185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.926	C1	C2	H6	118.331
C1	C2	H7	118.331	C1	C3	C2	59.926
C1	C3	H8	118.331	C1	C3	H9	118.331
C1	C4	H10	111.038	C1	C4	H13	111.038
C1	C4	H14	111.504	C1	C5	H11	111.038
C1	C5	H12	111.038	C1	C5	H15	111.504
C2	C1	C3	60.147	C2	C1	C4	117.929
C2	C1	C5	117.929	C2	C3	H8	117.875
C2	C3	H9	117.875	C3	C1	C4	117.929
C3	C1	C5	117.929	C3	C2	H6	117.875
C3	C2	H7	117.875	C4	C1	C5	114.464
H6	C2	H7	114.119	H8	C3	H9	114.119
H10	C4	H13	107.642	H10	C4	H14	107.721
H11	C5	H12	107.642	H11	C5	H15	107.721
H12	C5	H15	107.721	H13	C4	H14	107.721

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

using model chemistry: B3LYP/Def2TZVPP

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	0.130
2	C	-0.188
3	C	-0.188
4	C	-0.240
5	C	-0.240
6	H	0.072
7	H	0.072
8	H	0.072
9	H	0.072
10	H	0.075
11	H	0.075
12	H	0.075
13	H	0.075
14	H	0.070
15	H	0.070

<r²>	122.961
(<r²>)^1/2	11.089

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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