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	hartrees
Energy at 0K	-196.452484
Energy at 298.15K	-196.463081
Nuclear repulsion energy	182.812314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3040	3028	15.90
2	A	3008	2996	42.32
3	A	2940	2928	54.00
4	A	1477	1472	0.80
5	A	1465	1459	5.13
6	A	1386	1380	0.00
7	A	1302	1297	2.01
8	A	1050	1046	0.32
9	A	1003	999	13.03
10	A	906	903	8.22
11	A	658	656	1.20
12	A	345	343	0.04
13	A	3107	3095	0.00
14	A	2983	2971	0.00
15	A	1448	1442	0.00
16	A	1153	1148	0.00
17	A	1035	1031	0.00
18	A	874	871	0.00
19	A	321	319	0.00
20	A	208	207	0.00
21	A	3036	3024	32.48
22	A	2986	2974	78.03
23	A	1466	1461	6.59
24	A	1434	1428	4.22
25	A	1120	1116	4.02
26	A	1031	1027	1.14
27	A	809	806	5.48
28	A	384	383	1.07
29	A	233	232	0.00
30	A	3122	3110	35.24
31	A	3006	2994	24.06
32	A	2934	2923	36.89
33	A	1461	1455	4.98
34	A	1372	1367	5.54
35	A	1269	1264	2.36
36	A	948	945	0.23
37	A	914	910	0.24
38	A	771	768	0.03
39	A	352	351	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.152
C2	0.763	0.000	-1.167
C3	-0.763	0.000	-1.167
C4	0.000	1.285	0.980
C5	0.000	-1.285	0.980
H6	1.274	0.915	-1.467
H7	1.274	-0.915	-1.467
H8	-1.274	-0.915	-1.467
H9	-1.274	0.915	-1.467
H10	-0.890	1.337	1.629
H11	-0.890	-1.337	1.629
H12	0.890	-1.337	1.629
H13	0.890	1.337	1.629
H14	0.000	2.178	0.339
H15	0.000	-2.178	0.339

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5233	1.5233	1.5286	1.5286	2.2547	2.2547	2.2547	2.2547	2.1820	2.1820	2.1820	2.1820	2.1861	2.1861
C2	1.5233		1.5262	2.6156	2.6156	1.0907	1.0907	2.2539	2.2539	3.5119	3.5119	3.1012	3.1012	2.7556	2.7556
C3	1.5233	1.5262		2.6156	2.6156	2.2539	2.2539	1.0907	1.0907	3.1012	3.1012	3.5119	3.5119	2.7556	2.7556
C4	1.5286	2.6156	2.6156		2.5693	2.7841	3.5291	3.5291	2.7841	1.1022	2.8438	2.8438	1.1022	1.0997	3.5216
C5	1.5286	2.6156	2.6156	2.5693		3.5291	2.7841	2.7841	3.5291	2.8438	1.1022	1.1022	2.8438	3.5216	1.0997
H6	2.2547	1.0907	2.2539	2.7841	3.5291		1.8306	3.1382	2.5490	3.8008	4.3980	3.8479	3.1480	2.5459	3.8021
H7	2.2547	1.0907	2.2539	3.5291	2.7841	1.8306		2.5490	3.1382	4.3980	3.8008	3.1480	3.8479	3.8021	2.5459
H8	2.2547	2.2539	1.0907	3.5291	2.7841	3.1382	2.5490		1.8306	3.8479	3.1480	3.8008	4.3980	3.8021	2.5459
H9	2.2547	2.2539	1.0907	2.7841	3.5291	2.5490	3.1382	1.8306		3.1480	3.8479	4.3980	3.8008	2.5459	3.8021
H10	2.1820	3.5119	3.1012	1.1022	2.8438	3.8008	4.3980	3.8479	3.1480		2.6749	3.2128	1.7796	1.7780	3.8488
H11	2.1820	3.5119	3.1012	2.8438	1.1022	4.3980	3.8008	3.1480	3.8479	2.6749		1.7796	3.2128	3.8488	1.7780
H12	2.1820	3.1012	3.5119	2.8438	1.1022	3.8479	3.1480	3.8008	4.3980	3.2128	1.7796		2.6749	3.8488	1.7780
H13	2.1820	3.1012	3.5119	1.1022	2.8438	3.1480	3.8479	4.3980	3.8008	1.7796	3.2128	2.6749		1.7780	3.8488
H14	2.1861	2.7556	2.7556	1.0997	3.5216	2.5459	3.8021	3.8021	2.5459	1.7780	3.8488	3.8488	1.7780		4.3562
H15	2.1861	2.7556	2.7556	3.5216	1.0997	3.8021	2.5459	2.5459	3.8021	3.8488	1.7780	1.7780	3.8488	4.3562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.938	C1	C2	H6	118.258
C1	C2	H7	118.258	C1	C3	C2	59.938
C1	C3	H8	118.258	C1	C3	H9	118.258
C1	C4	H10	111.039	C1	C4	H13	111.039
C1	C4	H14	111.518	C1	C5	H11	111.039
C1	C5	H12	111.039	C1	C5	H15	111.518
C2	C1	C3	60.124	C2	C1	C4	117.972
C2	C1	C5	117.972	C2	C3	H8	117.960
C2	C3	H9	117.960	C3	C1	C4	117.972
C3	C1	C5	117.972	C3	C2	H6	117.960
C3	C2	H7	117.960	C4	C1	C5	114.369
H6	C2	H7	114.103	H8	C3	H9	114.103
H10	C4	H13	107.667	H10	C4	H14	107.701
H11	C5	H12	107.667	H11	C5	H15	107.701
H12	C5	H15	107.701	H13	C4	H14	107.701

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

using model chemistry: BLYP/6-311G**

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	-0.183
2	C	-0.190
3	C	-0.190
4	C	-0.221
5	C	-0.221
6	H	0.108
7	H	0.108
8	H	0.108
9	H	0.108
10	H	0.099
11	H	0.099
12	H	0.099
13	H	0.099
14	H	0.090
15	H	0.090

<r²>	125.152
(<r²>)^1/2	11.187

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

using model chemistry: BLYP/6-311G**

States and conformations

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