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	hartrees
Energy at 0K	-196.475038
Energy at 298.15K	-196.485790
Nuclear repulsion energy	184.396993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3017	12.50
2	A	3127	2997	37.69
3	A	3040	2914	39.47
4	A	1533	1469	0.24
5	A	1511	1449	5.57
6	A	1430	1371	0.00
7	A	1368	1311	1.65
8	A	1101	1055	0.86
9	A	1046	1003	7.75
10	A	965	925	13.23
11	A	701	672	1.50
12	A	348	334	0.00
13	A	3224	3090	0.00
14	A	3108	2978	0.00
15	A	1487	1425	0.00
16	A	1189	1140	0.00
17	A	1066	1021	0.00
18	A	895	858	0.00
19	A	329	315	0.00
20	A	217	208	0.00
21	A	3142	3012	24.05
22	A	3110	2981	59.72
23	A	1508	1445	5.44
24	A	1474	1413	3.73
25	A	1161	1113	7.15
26	A	1072	1027	1.17
27	A	871	835	5.02
28	A	393	376	1.34
29	A	244	234	0.02
30	A	3237	3102	23.66
31	A	3125	2995	17.10
32	A	3036	2909	35.24
33	A	1502	1439	4.28
34	A	1420	1361	7.74
35	A	1328	1272	1.19
36	A	971	931	0.66
37	A	957	917	0.54
38	A	791	759	0.01
39	A	357	342	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.754	0.000	-1.155
C3	-0.754	0.000	-1.155
C4	0.000	1.273	0.970
C5	0.000	-1.273	0.970
H6	1.265	0.912	-1.453
H7	1.265	-0.912	-1.453
H8	-1.265	-0.912	-1.453
H9	-1.265	0.912	-1.453
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	2.162	0.330
H15	0.000	-2.162	0.330

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5076	1.5076	1.5142	1.5142	2.2367	2.2367	2.2367	2.2367	2.1658	2.1658	2.1658	2.1658	2.1690	2.1690
C2	1.5076		1.5084	2.5895	2.5895	1.0867	1.0867	2.2353	2.2353	3.4818	3.4818	3.0745	3.0745	2.7288	2.7288
C3	1.5076	1.5084		2.5895	2.5895	2.2353	2.2353	1.0867	1.0867	3.0745	3.0745	3.4818	3.4818	2.7288	2.7288
C4	1.5142	2.5895	2.5895		2.5465	2.7574	3.4995	3.4995	2.7574	1.0967	2.8218	2.8218	1.0967	1.0948	3.4939
C5	1.5142	2.5895	2.5895	2.5465		3.4995	2.7574	2.7574	3.4995	2.8218	1.0967	1.0967	2.8218	3.4939	1.0948
H6	2.2367	1.0867	2.2353	2.7574	3.4995		1.8234	3.1183	2.5296	3.7697	4.3648	3.8175	3.1197	2.5184	3.7717
H7	2.2367	1.0867	2.2353	3.4995	2.7574	1.8234		2.5296	3.1183	4.3648	3.7697	3.1197	3.8175	3.7717	2.5184
H8	2.2367	2.2353	1.0867	3.4995	2.7574	3.1183	2.5296		1.8234	3.8175	3.1197	3.7697	4.3648	3.7717	2.5184
H9	2.2367	2.2353	1.0867	2.7574	3.4995	2.5296	3.1183	1.8234		3.1197	3.8175	4.3648	3.7697	2.5184	3.7717
H10	2.1658	3.4818	3.0745	1.0967	2.8218	3.7697	4.3648	3.8175	3.1197		2.6547	3.1909	1.7704	1.7694	3.8220
H11	2.1658	3.4818	3.0745	2.8218	1.0967	4.3648	3.7697	3.1197	3.8175	2.6547		1.7704	3.1909	3.8220	1.7694
H12	2.1658	3.0745	3.4818	2.8218	1.0967	3.8175	3.1197	3.7697	4.3648	3.1909	1.7704		2.6547	3.8220	1.7694
H13	2.1658	3.0745	3.4818	1.0967	2.8218	3.1197	3.8175	4.3648	3.7697	1.7704	3.1909	2.6547		1.7694	3.8220
H14	2.1690	2.7288	2.7288	1.0948	3.4939	2.5184	3.7717	3.7717	2.5184	1.7694	3.8220	3.8220	1.7694		4.3231
H15	2.1690	2.7288	2.7288	3.4939	1.0948	3.7717	2.5184	2.5184	3.7717	3.8220	1.7694	1.7694	3.8220	4.3231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.982	C1	C2	H6	118.216
C1	C2	H7	118.216	C1	C3	C2	59.982
C1	C3	H8	118.216	C1	C3	H9	118.216
C1	C4	H10	111.093	C1	C4	H13	111.093
C1	C4	H14	111.463	C1	C5	H11	111.093
C1	C5	H12	111.093	C1	C5	H15	111.463
C2	C1	C3	60.036	C2	C1	C4	117.948
C2	C1	C5	117.948	C2	C3	H8	118.023
C2	C3	H9	118.023	C3	C1	C4	117.948
C3	C1	C5	117.948	C3	C2	H6	118.023
C3	C2	H7	118.023	C4	C1	C5	114.460
H6	C2	H7	114.062	H8	C3	H9	114.062
H10	C4	H13	107.641	H10	C4	H14	107.685
H11	C5	H12	107.641	H11	C5	H15	107.685
H12	C5	H15	107.685	H13	C4	H14	107.685

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

using model chemistry: B3PW91/6-31G**

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	0.039
2	C	-0.274
3	C	-0.274
4	C	-0.379
5	C	-0.379
6	H	0.130
7	H	0.130
8	H	0.130
9	H	0.130
10	H	0.120
11	H	0.120
12	H	0.127
13	H	0.127
14	H	0.127
15	H	0.127

<r²>	122.494
(<r²>)^1/2	11.068

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

using model chemistry: B3PW91/6-31G**

States and conformations

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