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	hartrees
Energy at 0K	-195.974248
Energy at 298.15K	-195.985076
HF Energy	-195.158065
Nuclear repulsion energy	184.943247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3023	8.01
2	A	3187	3010	23.62
3	A	3088	2916	23.34
4	A	1545	1459	0.21
5	A	1523	1439	5.51
6	A	1441	1361	0.02
7	A	1385	1308	1.21
8	A	1107	1046	0.78
9	A	1050	991	9.52
10	A	979	925	10.77
11	A	707	667	1.05
12	A	345	325	0.00
13	A	3290	3107	0.00
14	A	3172	2996	0.00
15	A	1509	1425	0.00
16	A	1199	1132	0.00
17	A	1080	1020	0.00
18	A	904	854	0.00
19	A	335	317	0.00
20	A	229	216	0.00
21	A	3195	3018	10.57
22	A	3173	2997	35.14
23	A	1528	1444	6.02
24	A	1482	1400	3.11
25	A	1174	1109	5.60
26	A	1077	1017	0.91
27	A	890	840	4.92
28	A	390	368	0.92
29	A	257	243	0.02
30	A	3301	3118	10.01
31	A	3185	3008	8.93
32	A	3086	2914	23.58
33	A	1522	1438	4.17
34	A	1431	1352	8.16
35	A	1347	1272	0.58
36	A	986	931	0.87
37	A	972	918	0.13
38	A	794	750	0.03
39	A	351	331	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.153
C2	0.756	0.000	-1.148
C3	-0.756	0.000	-1.148
C4	0.000	1.272	0.964
C5	0.000	-1.272	0.964
H6	1.259	0.912	-1.443
H7	1.259	-0.912	-1.443
H8	-1.259	-0.912	-1.443
H9	-1.259	0.912	-1.443
H10	-0.884	1.327	1.606
H11	-0.884	-1.327	1.606
H12	0.884	-1.327	1.606
H13	0.884	1.327	1.606
H14	0.000	2.152	0.317
H15	0.000	-2.152	0.317

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5047	1.5047	1.5088	1.5088	2.2282	2.2282	2.2282	2.2282	2.1568	2.1568	2.1568	2.1568	2.1579	2.1579
C2	1.5047		1.5124	2.5790	2.5790	1.0825	1.0825	2.2317	2.2317	3.4688	3.4688	3.0593	3.0593	2.7108	2.7108
C3	1.5047	1.5124		2.5790	2.5790	2.2317	2.2317	1.0825	1.0825	3.0593	3.0593	3.4688	3.4688	2.7108	2.7108
C4	1.5088	2.5790	2.5790		2.5442	2.7407	3.4859	3.4859	2.7407	1.0934	2.8189	2.8189	1.0934	1.0919	3.4844
C5	1.5088	2.5790	2.5790	2.5442		3.4859	2.7407	2.7407	3.4859	2.8189	1.0934	1.0934	2.8189	3.4844	1.0919
H6	2.2282	1.0825	2.2317	2.7407	3.4859		1.8237	3.1093	2.5184	3.7498	4.3474	3.8012	3.1001	2.4944	3.7510
H7	2.2282	1.0825	2.2317	3.4859	2.7407	1.8237		2.5184	3.1093	4.3474	3.7498	3.1001	3.8012	3.7510	2.4944
H8	2.2282	2.2317	1.0825	3.4859	2.7407	3.1093	2.5184		1.8237	3.8012	3.1001	3.7498	4.3474	3.7510	2.4944
H9	2.2282	2.2317	1.0825	2.7407	3.4859	2.5184	3.1093	1.8237		3.1001	3.8012	4.3474	3.7498	2.4944	3.7510
H10	2.1568	3.4688	3.0593	1.0934	2.8189	3.7498	4.3474	3.8012	3.1001		2.6533	3.1880	1.7674	1.7669	3.8132
H11	2.1568	3.4688	3.0593	2.8189	1.0934	4.3474	3.7498	3.1001	3.8012	2.6533		1.7674	3.1880	3.8132	1.7669
H12	2.1568	3.0593	3.4688	2.8189	1.0934	3.8012	3.1001	3.7498	4.3474	3.1880	1.7674		2.6533	3.8132	1.7669
H13	2.1568	3.0593	3.4688	1.0934	2.8189	3.1001	3.8012	4.3474	3.7498	1.7674	3.1880	2.6533		1.7669	3.8132
H14	2.1579	2.7108	2.7108	1.0919	3.4844	2.4944	3.7510	3.7510	2.4944	1.7669	3.8132	3.8132	1.7669		4.3034
H15	2.1579	2.7108	2.7108	3.4844	1.0919	3.7510	2.4944	2.4944	3.7510	3.8132	1.7669	1.7669	3.8132	4.3034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.830	C1	C2	H6	117.997
C1	C2	H7	117.997	C1	C3	C2	59.830
C1	C3	H8	117.997	C1	C3	H9	117.997
C1	C4	H10	110.953	C1	C4	H13	110.953
C1	C4	H14	111.133	C1	C5	H11	110.953
C1	C5	H12	110.953	C1	C5	H15	111.133
C2	C1	C3	60.339	C2	C1	C4	117.704
C2	C1	C5	117.704	C2	C3	H8	117.689
C2	C3	H9	117.689	C3	C1	C4	117.704
C3	C1	C5	117.704	C3	C2	H6	117.689
C3	C2	H7	117.689	C4	C1	C5	114.940
H6	C2	H7	114.787	H8	C3	H9	114.787
H10	C4	H13	107.842	H10	C4	H14	107.908
H11	C5	H12	107.842	H11	C5	H15	107.908
H12	C5	H15	107.908	H13	C4	H14	107.908

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

using model chemistry: MP2/6-31G(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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All results from a given calculation for C5H10 (Cyclopropane, 1,1-dimethyl-)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

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