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	hartrees
Energy at 0K	-195.318606
Energy at 298.15K	-195.329193
Nuclear repulsion energy	181.831887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	3058	10.20
2	A	3026	3009	35.29
3	A	2960	2943	39.45
4	A	1537	1528	2.82
5	A	1495	1486	2.72
6	A	1431	1423	0.01
7	A	1296	1289	2.46
8	A	1048	1042	1.37
9	A	1026	1020	20.65
10	A	882	878	7.41
11	A	637	633	1.36
12	A	341	339	0.00
13	A	3148	3130	0.00
14	A	3004	2988	0.00
15	A	1512	1504	0.00
16	A	1165	1159	0.00
17	A	1065	1059	0.00
18	A	892	887	0.00
19	A	321	320	0.00
20	A	215	213	0.00
21	A	3070	3053	19.73
22	A	3009	2992	62.36
23	A	1531	1522	6.20
24	A	1479	1471	3.71
25	A	1156	1149	9.11
26	A	1053	1047	1.78
27	A	787	783	4.84
28	A	371	369	2.04
29	A	235	234	0.02
30	A	3164	3147	23.20
31	A	3023	3007	18.83
32	A	2955	2938	29.63
33	A	1523	1515	5.33
34	A	1417	1409	6.33
35	A	1283	1276	3.78
36	A	983	978	0.27
37	A	916	911	0.88
38	A	778	773	0.00
39	A	341	339	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.158
C2	0.774	0.000	-1.174
C3	-0.774	0.000	-1.174
C4	0.000	1.292	0.985
C5	0.000	-1.292	0.985
H6	1.281	0.921	-1.467
H7	1.281	-0.921	-1.467
H8	-1.281	-0.921	-1.467
H9	-1.281	0.921	-1.467
H10	-0.895	1.338	1.631
H11	-0.895	-1.338	1.631
H12	0.895	-1.338	1.631
H13	0.895	1.338	1.631
H14	0.000	2.181	0.331
H15	0.000	-2.181	0.331

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5402	1.5402	1.5340	1.5340	2.2646	2.2646	2.2646	2.2646	2.1819	2.1819	2.1819	2.1819	2.1874	2.1874
C2	1.5402		1.5474	2.6321	2.6321	1.0915	1.0915	2.2705	2.2705	3.5272	3.5272	3.1098	3.1098	2.7601	2.7601
C3	1.5402	1.5474		2.6321	2.6321	2.2705	2.2705	1.0915	1.0915	3.1098	3.1098	3.5272	3.5272	2.7601	2.7601
C4	1.5340	2.6321	2.6321		2.5842	2.7907	3.5424	3.5424	2.7907	1.1049	2.8525	2.8525	1.1049	1.1030	3.5336
C5	1.5340	2.6321	2.6321	2.5842		3.5424	2.7907	2.7907	3.5424	2.8525	1.1049	1.1049	2.8525	3.5336	1.1030
H6	2.2646	1.0915	2.2705	2.7907	3.5424		1.8423	3.1551	2.5614	3.8082	4.4083	3.8532	3.1491	2.5413	3.8069
H7	2.2646	1.0915	2.2705	3.5424	2.7907	1.8423		2.5614	3.1551	4.4083	3.8082	3.1491	3.8532	3.8069	2.5413
H8	2.2646	2.2705	1.0915	3.5424	2.7907	3.1551	2.5614		1.8423	3.8532	3.1491	3.8082	4.4083	3.8069	2.5413
H9	2.2646	2.2705	1.0915	2.7907	3.5424	2.5614	3.1551	1.8423		3.1491	3.8532	4.4083	3.8082	2.5413	3.8069
H10	2.1819	3.5272	3.1098	1.1049	2.8525	3.8082	4.4083	3.8532	3.1491		2.6762	3.2198	1.7904	1.7889	3.8563
H11	2.1819	3.5272	3.1098	2.8525	1.1049	4.4083	3.8082	3.1491	3.8532	2.6762		1.7904	3.2198	3.8563	1.7889
H12	2.1819	3.1098	3.5272	2.8525	1.1049	3.8532	3.1491	3.8082	4.4083	3.2198	1.7904		2.6762	3.8563	1.7889
H13	2.1819	3.1098	3.5272	1.1049	2.8525	3.1491	3.8532	4.4083	3.8082	1.7904	3.2198	2.6762		1.7889	3.8563
H14	2.1874	2.7601	2.7601	1.1030	3.5336	2.5413	3.8069	3.8069	2.5413	1.7889	3.8563	3.8563	1.7889		4.3611
H15	2.1874	2.7601	2.7601	3.5336	1.1030	3.8069	2.5413	2.5413	3.8069	3.8563	1.7889	1.7889	3.8563	4.3611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.846	C1	C2	H6	117.735
C1	C2	H7	117.735	C1	C3	C2	59.846
C1	C3	H8	117.735	C1	C3	H9	117.735
C1	C4	H10	110.497	C1	C4	H13	110.497
C1	C4	H14	111.040	C1	C5	H11	110.497
C1	C5	H12	110.497	C1	C5	H15	111.040
C2	C1	C3	60.309	C2	C1	C4	117.778
C2	C1	C5	117.778	C2	C3	H8	117.678
C2	C3	H9	117.678	C3	C1	C4	117.778
C3	C1	C5	117.778	C3	C2	H6	117.678
C3	C2	H7	117.678	C4	C1	C5	114.771
H6	C2	H7	115.116	H8	C3	H9	115.116
H10	C4	H13	108.235	H10	C4	H14	108.238
H11	C5	H12	108.235	H11	C5	H15	108.238
H12	C5	H15	108.238	H13	C4	H14	108.238

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

using model chemistry: BLYP/3-21G

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	-0.075
2	C	-0.332
3	C	-0.332
4	C	-0.507
5	C	-0.507
6	H	0.178
7	H	0.178
8	H	0.178
9	H	0.178
10	H	0.175
11	H	0.175
12	H	0.175
13	H	0.170
14	H	0.171
15	H	0.175

<r²>	125.578
(<r²>)^1/2	11.206

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

using model chemistry: BLYP/3-21G

States and conformations

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