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	hartrees
Energy at 0K	-196.479384
Energy at 298.15K	-196.490119
Nuclear repulsion energy	184.548051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3140	3019	11.38
2	A	3117	2996	35.15
3	A	3030	2913	37.92
4	A	1517	1458	0.15
5	A	1496	1438	5.58
6	A	1417	1362	0.00
7	A	1360	1308	1.97
8	A	1099	1056	0.65
9	A	1042	1002	6.02
10	A	964	926	11.44
11	A	700	673	1.26
12	A	344	331	0.00
13	A	3217	3092	0.00
14	A	3096	2976	0.00
15	A	1473	1416	0.00
16	A	1184	1139	0.00
17	A	1062	1021	0.00
18	A	890	855	0.00
19	A	327	315	0.00
20	A	214	206	0.00
21	A	3135	3014	23.02
22	A	3098	2978	53.28
23	A	1493	1436	5.31
24	A	1461	1404	3.60
25	A	1155	1111	6.44
26	A	1071	1029	0.67
27	A	869	835	5.10
28	A	392	377	0.97
29	A	242	233	0.01
30	A	3231	3106	21.05
31	A	3114	2994	15.88
32	A	3026	2909	32.94
33	A	1487	1430	3.95
34	A	1405	1351	7.24
35	A	1321	1270	1.43
36	A	967	930	0.52
37	A	954	917	0.25
38	A	786	755	0.01
39	A	352	338	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.754	0.000	-1.153
C3	-0.754	0.000	-1.153
C4	0.000	1.272	0.969
C5	0.000	-1.272	0.969
H6	1.264	0.911	-1.452
H7	1.264	-0.911	-1.452
H8	-1.264	-0.911	-1.452
H9	-1.264	0.911	-1.452
H10	-0.885	1.327	1.615
H11	-0.885	-1.327	1.615
H12	0.885	-1.327	1.615
H13	0.885	1.327	1.615
H14	0.000	2.160	0.328
H15	0.000	-2.160	0.328

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5064	1.5064	1.5124	1.5124	2.2350	2.2350	2.2350	2.2350	2.1649	2.1649	2.1649	2.1649	2.1673	2.1673
C2	1.5064		1.5077	2.5865	2.5865	1.0856	1.0856	2.2335	2.2335	3.4796	3.4796	3.0724	3.0724	2.7257	2.7257
C3	1.5064	1.5077		2.5865	2.5865	2.2335	2.2335	1.0856	1.0856	3.0724	3.0724	3.4796	3.4796	2.7257	2.7257
C4	1.5124	2.5865	2.5865		2.5442	2.7545	3.4960	3.4960	2.7545	1.0967	2.8207	2.8207	1.0967	1.0947	3.4913
C5	1.5124	2.5865	2.5865	2.5442		3.4960	2.7545	2.7545	3.4960	2.8207	1.0967	1.0967	2.8207	3.4913	1.0947
H6	2.2350	1.0856	2.2335	2.7545	3.4960		1.8216	3.1152	2.5271	3.7672	4.3620	3.8152	3.1177	2.5153	3.7677
H7	2.2350	1.0856	2.2335	3.4960	2.7545	1.8216		2.5271	3.1152	4.3620	3.7672	3.1177	3.8152	3.7677	2.5153
H8	2.2350	2.2335	1.0856	3.4960	2.7545	3.1152	2.5271		1.8216	3.8152	3.1177	3.7672	4.3620	3.7677	2.5153
H9	2.2350	2.2335	1.0856	2.7545	3.4960	2.5271	3.1152	1.8216		3.1177	3.8152	4.3620	3.7672	2.5153	3.7677
H10	2.1649	3.4796	3.0724	1.0967	2.8207	3.7672	4.3620	3.8152	3.1177		2.6544	3.1901	1.7694	1.7693	3.8206
H11	2.1649	3.4796	3.0724	2.8207	1.0967	4.3620	3.7672	3.1177	3.8152	2.6544		1.7694	3.1901	3.8206	1.7693
H12	2.1649	3.0724	3.4796	2.8207	1.0967	3.8152	3.1177	3.7672	4.3620	3.1901	1.7694		2.6544	3.8206	1.7693
H13	2.1649	3.0724	3.4796	1.0967	2.8207	3.1177	3.8152	4.3620	3.7672	1.7694	3.1901	2.6544		1.7693	3.8206
H14	2.1673	2.7257	2.7257	1.0947	3.4913	2.5153	3.7677	3.7677	2.5153	1.7693	3.8206	3.8206	1.7693		4.3200
H15	2.1673	2.7257	2.7257	3.4913	1.0947	3.7677	2.5153	2.5153	3.7677	3.8206	1.7693	1.7693	3.8206	4.3200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.971	C1	C2	H6	118.238
C1	C2	H7	118.238	C1	C3	C2	59.971
C1	C3	H8	118.238	C1	C3	H9	118.238
C1	C4	H10	111.143	C1	C4	H13	111.143
C1	C4	H14	111.455	C1	C5	H11	111.143
C1	C5	H12	111.143	C1	C5	H15	111.455
C2	C1	C3	60.059	C2	C1	C4	117.920
C2	C1	C5	117.920	C2	C3	H8	118.003
C2	C3	H9	118.003	C3	C1	C4	117.920
C3	C1	C5	117.920	C3	C2	H6	118.003
C3	C2	H7	118.003	C4	C1	C5	114.518
H6	C2	H7	114.063	H8	C3	H9	114.063
H10	C4	H13	107.553	H10	C4	H14	107.682
H11	C5	H12	107.553	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: B3PW91/6-31G(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	0.320
2	C	-0.332
3	C	-0.332
4	C	-0.500
5	C	-0.500
6	H	0.133
7	H	0.133
8	H	0.133
9	H	0.133
10	H	0.136
11	H	0.136
12	H	0.136
13	H	0.136
14	H	0.134
15	H	0.134

<r²>	122.325
(<r²>)^1/2	11.060

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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