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	hartrees
Energy at 0K	-196.598179
Energy at 298.15K	-196.608947
Nuclear repulsion energy	184.590261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3115	3012	12.06
2	A	3080	2979	38.58
3	A	3010	2911	46.45
4	A	1519	1469	0.01
5	A	1505	1456	6.99
6	A	1424	1377	0.07
7	A	1352	1308	2.09
8	A	1084	1048	0.20
9	A	1042	1007	10.31
10	A	942	911	10.76
11	A	684	661	1.59
12	A	352	340	0.05
13	A	3183	3078	0.00
14	A	3058	2957	0.00
15	A	1483	1435	0.00
16	A	1187	1148	0.00
17	A	1065	1030	0.00
18	A	901	872	0.00
19	A	331	320	0.00
20	A	215	208	0.00
21	A	3110	3008	27.16
22	A	3061	2960	64.20
23	A	1502	1453	7.00
24	A	1475	1426	5.33
25	A	1157	1119	3.55
26	A	1077	1042	0.58
27	A	847	820	6.23
28	A	396	383	0.92
29	A	242	234	0.00
30	A	3197	3092	26.40
31	A	3078	2977	19.37
32	A	3005	2906	34.76
33	A	1496	1447	4.72
34	A	1411	1365	7.01
35	A	1314	1271	1.38
36	A	974	941	0.35
37	A	946	915	0.18
38	A	793	766	0.00
39	A	360	349	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.149
C2	0.756	0.000	-1.154
C3	-0.756	0.000	-1.154
C4	0.000	1.273	0.970
C5	0.000	-1.273	0.970
H6	1.263	0.907	-1.453
H7	1.263	-0.907	-1.453
H8	-1.263	-0.907	-1.453
H9	-1.263	0.907	-1.453
H10	-0.882	1.324	1.613
H11	-0.882	-1.324	1.613
H12	0.882	-1.324	1.613
H13	0.882	1.324	1.613
H14	0.000	2.159	0.334
H15	0.000	-2.159	0.334

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5055	1.5055	1.5148	1.5148	2.2326	2.2326	2.2326	2.2326	2.1623	2.1623	2.1623	2.1623	2.1669	2.1669
C2	1.5055		1.5112	2.5887	2.5887	1.0821	1.0821	2.2336	2.2336	3.4771	3.4771	3.0697	3.0697	2.7287	2.7287
C3	1.5055	1.5112		2.5887	2.5887	2.2336	2.2336	1.0821	1.0821	3.0697	3.0697	3.4771	3.4771	2.7287	2.7287
C4	1.5148	2.5887	2.5887		2.5452	2.7570	3.4958	3.4958	2.7570	1.0930	2.8165	2.8165	1.0930	1.0909	3.4900
C5	1.5148	2.5887	2.5887	2.5452		3.4958	2.7570	2.7570	3.4958	2.8165	1.0930	1.0930	2.8165	3.4900	1.0909
H6	2.2326	1.0821	2.2336	2.7570	3.4958		1.8150	3.1109	2.5266	3.7654	4.3569	3.8110	3.1175	2.5211	3.7674
H7	2.2326	1.0821	2.2336	3.4958	2.7570	1.8150		2.5266	3.1109	4.3569	3.7654	3.1175	3.8110	3.7674	2.5211
H8	2.2326	2.2336	1.0821	3.4958	2.7570	3.1109	2.5266		1.8150	3.8110	3.1175	3.7654	4.3569	3.7674	2.5211
H9	2.2326	2.2336	1.0821	2.7570	3.4958	2.5266	3.1109	1.8150		3.1175	3.8110	4.3569	3.7654	2.5211	3.7674
H10	2.1623	3.4771	3.0697	1.0930	2.8165	3.7654	4.3569	3.8110	3.1175		2.6474	3.1818	1.7650	1.7640	3.8135
H11	2.1623	3.4771	3.0697	2.8165	1.0930	4.3569	3.7654	3.1175	3.8110	2.6474		1.7650	3.1818	3.8135	1.7640
H12	2.1623	3.0697	3.4771	2.8165	1.0930	3.8110	3.1175	3.7654	4.3569	3.1818	1.7650		2.6474	3.8135	1.7640
H13	2.1623	3.0697	3.4771	1.0930	2.8165	3.1175	3.8110	4.3569	3.7654	1.7650	3.1818	2.6474		1.7640	3.8135
H14	2.1669	2.7287	2.7287	1.0909	3.4900	2.5211	3.7674	3.7674	2.5211	1.7640	3.8135	3.8135	1.7640		4.3179
H15	2.1669	2.7287	2.7287	3.4900	1.0909	3.7674	2.5211	2.5211	3.7674	3.8135	1.7640	1.7640	3.8135	4.3179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.875	C1	C2	H6	118.342
C1	C2	H7	118.342	C1	C3	C2	59.875
C1	C3	H8	118.342	C1	C3	H9	118.342
C1	C4	H10	110.994	C1	C4	H13	110.994
C1	C4	H14	111.489	C1	C5	H11	110.994
C1	C5	H12	110.994	C1	C5	H15	111.489
C2	C1	C3	60.249	C2	C1	C4	117.980
C2	C1	C5	117.980	C2	C3	H8	117.980
C2	C3	H9	117.980	C3	C1	C4	117.980
C3	C1	C5	117.980	C3	C2	H6	117.980
C3	C2	H7	117.980	C4	C1	C5	114.302
H6	C2	H7	113.999	H8	C3	H9	113.999
H10	C4	H13	107.690	H10	C4	H14	107.752
H11	C5	H12	107.690	H11	C5	H15	107.752
H12	C5	H15	107.752	H13	C4	H14	107.752

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.354
2	C	-0.400
3	C	-0.400
4	C	-0.464
5	C	-0.464
6	H	0.138
7	H	0.138
8	H	0.138
9	H	0.138
10	H	0.141
11	H	0.141
12	H	0.141
13	H	0.141
14	H	0.130
15	H	0.130

<r²>	123.048
(<r²>)^1/2	11.093

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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