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	hartrees
Energy at 0K	-196.258389
Energy at 298.15K	-196.268970
Nuclear repulsion energy	183.573542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3068	3036	11.42
2	A	3047	3015	33.44
3	A	2960	2930	39.07
4	A	1470	1455	0.01
5	A	1449	1434	5.13
6	A	1371	1357	0.00
7	A	1320	1307	2.07
8	A	1067	1056	0.54
9	A	1002	991	6.52
10	A	939	929	9.85
11	A	684	677	0.93
12	A	335	332	0.00
13	A	3144	3112	0.00
14	A	3024	2993	0.00
15	A	1428	1414	0.00
16	A	1149	1137	0.00
17	A	1030	1020	0.00
18	A	861	852	0.00
19	A	318	315	0.00
20	A	211	209	0.00
21	A	3064	3032	22.33
22	A	3026	2995	50.90
23	A	1449	1434	5.10
24	A	1415	1401	3.18
25	A	1117	1106	5.72
26	A	1026	1016	0.80
27	A	843	834	4.08
28	A	380	376	0.88
29	A	237	234	0.01
30	A	3159	3126	20.31
31	A	3044	3013	15.01
32	A	2956	2926	33.08
33	A	1443	1429	3.86
34	A	1358	1344	6.03
35	A	1284	1270	1.80
36	A	940	930	0.56
37	A	928	919	0.19
38	A	762	754	0.01
39	A	342	338	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.153
C2	0.758	0.000	-1.159
C3	-0.758	0.000	-1.159
C4	0.000	1.277	0.973
C5	0.000	-1.277	0.973
H6	1.271	0.917	-1.459
H7	1.271	-0.917	-1.459
H8	-1.271	-0.917	-1.459
H9	-1.271	0.917	-1.459
H10	-0.891	1.333	1.624
H11	-0.891	-1.333	1.624
H12	0.891	-1.333	1.624
H13	0.891	1.333	1.624
H14	0.000	2.171	0.328
H15	0.000	-2.171	0.328

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5154	1.5154	1.5178	1.5178	2.2485	2.2485	2.2485	2.2485	2.1758	2.1758	2.1758	2.1758	2.1779	2.1779
C2	1.5154		1.5164	2.5987	2.5987	1.0930	1.0930	2.2474	2.2474	3.4988	3.4988	3.0888	3.0888	2.7387	2.7387
C3	1.5154	1.5164		2.5987	2.5987	2.2474	2.2474	1.0930	1.0930	3.0888	3.0888	3.4988	3.4988	2.7387	2.7387
C4	1.5178	2.5987	2.5987		2.5539	2.7680	3.5139	3.5139	2.7680	1.1044	2.8333	2.8333	1.1044	1.1023	3.5076
C5	1.5178	2.5987	2.5987	2.5539		3.5139	2.7680	2.7680	3.5139	2.8333	1.1044	1.1044	2.8333	3.5076	1.1023
H6	2.2485	1.0930	2.2474	2.7680	3.5139		1.8347	3.1357	2.5429	3.7883	4.3866	3.8358	3.1341	2.5263	3.7879
H7	2.2485	1.0930	2.2474	3.5139	2.7680	1.8347		2.5429	3.1357	4.3866	3.7883	3.1341	3.8358	3.7879	2.5263
H8	2.2485	2.2474	1.0930	3.5139	2.7680	3.1357	2.5429		1.8347	3.8358	3.1341	3.7883	4.3866	3.7879	2.5263
H9	2.2485	2.2474	1.0930	2.7680	3.5139	2.5429	3.1357	1.8347		3.1341	3.8358	4.3866	3.7883	2.5263	3.7879
H10	2.1758	3.4988	3.0888	1.1044	2.8333	3.7883	4.3866	3.8358	3.1341		2.6657	3.2060	1.7811	1.7817	3.8403
H11	2.1758	3.4988	3.0888	2.8333	1.1044	4.3866	3.7883	3.1341	3.8358	2.6657		1.7811	3.2060	3.8403	1.7817
H12	2.1758	3.0888	3.4988	2.8333	1.1044	3.8358	3.1341	3.7883	4.3866	3.2060	1.7811		2.6657	3.8403	1.7817
H13	2.1758	3.0888	3.4988	1.1044	2.8333	3.1341	3.8358	4.3866	3.7883	1.7811	3.2060	2.6657		1.7817	3.8403
H14	2.1779	2.7387	2.7387	1.1023	3.5076	2.5263	3.7879	3.7879	2.5263	1.7817	3.8403	3.8403	1.7817		4.3417
H15	2.1779	2.7387	2.7387	3.5076	1.1023	3.7879	2.5263	2.5263	3.7879	3.8403	1.7817	1.7817	3.8403	4.3417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.978	C1	C2	H6	118.183
C1	C2	H7	118.183	C1	C3	C2	59.978
C1	C3	H8	118.183	C1	C3	H9	118.183
C1	C4	H10	111.167	C1	C4	H13	111.167
C1	C4	H14	111.465	C1	C5	H11	111.167
C1	C5	H12	111.167	C1	C5	H15	111.465
C2	C1	C3	60.044	C2	C1	C4	117.907
C2	C1	C5	117.907	C2	C3	H8	118.006
C2	C3	H9	118.006	C3	C1	C4	117.907
C3	C1	C5	117.907	C3	C2	H6	118.006
C3	C2	H7	118.006	C4	C1	C5	114.555
H6	C2	H7	114.125	H8	C3	H9	114.125
H10	C4	H13	107.488	H10	C4	H14	107.682
H11	C5	H12	107.488	H11	C5	H15	107.682
H12	C5	H15	107.682	H13	C4	H14	107.682

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.376
2	C	-0.308
3	C	-0.308
4	C	-0.481
5	C	-0.481
6	H	0.116
7	H	0.116
8	H	0.116
9	H	0.116
10	H	0.123
11	H	0.123
12	H	0.123
13	H	0.123
14	H	0.121
15	H	0.121

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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