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	hartrees
Energy at 0K	-196.603426
Energy at 298.15K	-196.614205
Nuclear repulsion energy	184.633125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3097	27.23
2	A	3191	3084	0.00
3	A	3122	3018	12.25
4	A	3118	3013	26.15
5	A	3085	2982	39.51
6	A	3083	2980	20.19
7	A	3064	2962	65.92
8	A	3061	2959	0.05
9	A	3015	2914	46.21
10	A	3010	2910	32.55
11	A	1519	1469	0.03
12	A	1505	1455	6.25
13	A	1501	1451	6.17
14	A	1496	1446	4.39
15	A	1483	1433	0.00
16	A	1474	1425	4.69
17	A	1426	1378	0.05
18	A	1413	1366	7.25
19	A	1353	1308	1.79
20	A	1317	1273	1.33
21	A	1190	1150	0.00
22	A	1160	1121	4.34
23	A	1086	1050	0.30
24	A	1078	1042	0.54
25	A	1068	1032	0.00
26	A	1043	1008	10.19
27	A	975	943	0.34
28	A	948	916	0.23
29	A	944	913	10.59
30	A	903	873	0.00
31	A	849	820	6.42
32	A	793	767	0.00
33	A	686	663	1.47
34	A	397	383	0.99
35	A	360	348	0.83
36	A	352	340	0.04
37	A	331	320	0.00
38	A	240	232	0.00
39	A	214	207	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.149	-0.000	-0.000
C2	-1.153	0.000	-0.755
C3	-1.153	-0.000	0.755
C4	0.970	1.273	0.000
C5	0.970	-1.272	-0.000
H6	-1.452	0.908	-1.262
H7	-1.452	-0.908	-1.262
H8	-1.452	-0.908	1.261
H9	-1.452	0.908	1.262
H10	1.613	1.324	0.882
H11	1.613	-1.324	0.882
H12	1.612	1.325	-0.883
H13	0.333	2.158	0.001
H14	0.333	-2.158	-0.000
H15	1.613	-1.324	-0.882

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5058	1.5058	1.5141	1.5141	2.2316	2.2316	2.2315	2.2317	2.1620	2.1620	2.1620	2.1661	2.1661	2.1621
C2	1.5058		1.5107	2.5879	2.5881	1.0817	1.0817	2.2320	2.2322	3.4768	3.4767	3.0692	2.7275	2.7274	3.0699
C3	1.5058	1.5107		2.5880	2.5879	2.2321	2.2321	1.0817	1.0817	3.0698	3.0692	3.4767	2.7272	2.7274	3.4768
C4	1.5141	2.5879	2.5880		2.5450	2.7547	3.4944	3.4945	2.7549	1.0930	2.8171	1.0930	1.0908	3.4894	2.8169
C5	1.5141	2.5881	2.5879	2.5450		3.4945	2.7549	2.7546	3.4943	2.8165	1.0930	2.8174	3.4893	1.0908	1.0930
H6	2.2316	1.0817	2.2321	2.7547	3.4945		1.8162	3.1091	2.5237	3.7633	4.3557	3.1154	2.5184	3.7658	3.8108
H7	2.2316	1.0817	2.2321	3.4944	2.7549	1.8162		2.5234	3.1092	4.3557	3.7633	3.8102	3.7659	2.5182	3.1164
H8	2.2315	2.2320	1.0817	3.4945	2.7546	3.1091	2.5234		1.8162	3.8107	3.1155	4.3557	3.7655	2.5180	3.7632
H9	2.2317	2.2322	1.0817	2.7549	3.4943	2.5237	3.1092	1.8162		3.1165	3.8101	3.7632	2.5180	3.7657	4.3558
H10	2.1620	3.4768	3.0698	1.0930	2.8165	3.7633	4.3557	3.8107	3.1165		2.6482	1.7646	1.7639	3.8134	3.1818
H11	2.1620	3.4767	3.0692	2.8171	1.0930	4.3557	3.7633	3.1155	3.8101	2.6482		3.1834	3.8135	1.7639	1.7646
H12	2.1620	3.0692	3.4767	1.0930	2.8174	3.1154	3.8102	4.3557	3.7632	1.7646	3.1834		1.7640	3.8140	2.6490
H13	2.1661	2.7275	2.7272	1.0908	3.4893	2.5184	3.7659	3.7655	2.5180	1.7639	3.8135	1.7640		4.3165	3.8139
H14	2.1661	2.7274	2.7274	3.4894	1.0908	3.7658	2.5182	2.5180	3.7657	3.8134	1.7639	3.8140	4.3165		1.7639
H15	2.1621	3.0699	3.4768	2.8169	1.0930	3.8108	3.1164	3.7632	4.3558	3.1818	1.7646	2.6490	3.8139	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.893	C1	C2	H6	118.259
C1	C2	H7	118.260	C1	C3	C2	59.891
C1	C3	H8	118.255	C1	C3	H9	118.266
C1	C4	H10	111.013	C1	C4	H13	111.481
C1	C4	H14	22.302	C1	C5	H11	111.015
C1	C5	H12	49.368	C1	C5	H15	111.022
C2	C1	C3	60.215	C2	C1	C4	117.953
C2	C1	C5	117.964	C2	C3	H8	117.905
C2	C3	H9	117.922	C3	C1	C4	117.957
C3	C1	C5	117.951	C3	C2	H6	117.915
C3	C2	H7	117.914	C4	C1	C5	114.373
H6	C2	H7	114.172	H8	C3	H9	114.173
H10	C4	H13	107.751	H10	C4	H14	98.838
H11	C5	H12	99.357	H11	C5	H15	107.648
H12	C5	H15	69.913	H13	C4	H14	133.783

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

using model chemistry: B3LYP/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	ESP
1	C	0.188	0.453
2	C	-0.244	-0.316
3	C	-0.244	-0.308
4	C	-0.302	-0.574
5	C	-0.302	-0.574
6	H	0.093	0.113
7	H	0.093	0.113
8	H	0.093	0.112
9	H	0.093	0.112
10	H	0.090	0.138
11	H	0.091	0.138
12	H	0.091	0.139
13	H	0.085	0.139
14	H	0.085	0.156
15	H	0.091	0.156

	x	y	z
x	9.262	0.000	-0.001
y	0.000	8.708	0.000
z	-0.001	0.000	8.264

<r²>	122.929
(<r²>)^1/2	11.087

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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