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	hartrees
Energy at 0K	-194.502089
Energy at 298.15K	-194.512961
HF Energy	-194.043957
Nuclear repulsion energy	183.060982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3034	6.64
2	A	3144	2991	33.15
3	A	3068	2919	22.29
4	A	1607	1529	3.42
5	A	1572	1495	2.25
6	A	1499	1426	0.04
7	A	1365	1299	0.82
8	A	1126	1072	20.33
9	A	1093	1039	0.33
10	A	926	881	10.14
11	A	664	632	1.75
12	A	363	345	0.00
13	A	3270	3111	0.00
14	A	3135	2982	0.00
15	A	1585	1508	0.00
16	A	1226	1167	0.00
17	A	1123	1068	0.00
18	A	947	901	0.00
19	A	342	326	0.00
20	A	230	219	0.00
21	A	3184	3029	12.50
22	A	3138	2985	48.47
23	A	1601	1523	5.94
24	A	1554	1479	3.72
25	A	1232	1172	7.13
26	A	1137	1082	1.24
27	A	837	796	5.57
28	A	398	378	1.96
29	A	246	234	0.03
30	A	3285	3125	15.93
31	A	3141	2988	12.56
32	A	3066	2916	25.50
33	A	1597	1519	5.13
34	A	1484	1412	8.42
35	A	1351	1286	1.94
36	A	1032	982	0.26
37	A	968	921	1.05
38	A	821	781	0.02
39	A	363	345	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.156
C2	0.770	0.000	-1.164
C3	-0.770	0.000	-1.164
C4	0.000	1.284	0.978
C5	0.000	-1.284	0.978
H6	1.275	0.915	-1.455
H7	1.275	-0.915	-1.455
H8	-1.275	-0.915	-1.455
H9	-1.275	0.915	-1.455
H10	-0.891	1.328	1.617
H11	-0.891	-1.328	1.617
H12	0.891	-1.328	1.617
H13	0.891	1.328	1.617
H14	0.000	2.164	0.323
H15	0.000	-2.164	0.323

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5287	1.5287	1.5248	1.5248	2.2491	2.2491	2.2491	2.2491	2.1655	2.1655	2.1655	2.1655	2.1699	2.1699
C2	1.5287		1.5395	2.6139	2.6139	1.0846	1.0846	2.2586	2.2586	3.5008	3.5008	3.0843	3.0843	2.7359	2.7359
C3	1.5287	1.5395		2.6139	2.6139	2.2586	2.2586	1.0846	1.0846	3.0843	3.0843	3.5008	3.5008	2.7359	2.7359
C4	1.5248	2.6139	2.6139		2.5689	2.7716	3.5188	3.5188	2.7716	1.0970	2.8327	2.8327	1.0970	1.0964	3.5097
C5	1.5248	2.6139	2.6139	2.5689		3.5188	2.7716	2.7716	3.5188	2.8327	1.0970	1.0970	2.8327	3.5097	1.0964
H6	2.2491	1.0846	2.2586	2.7716	3.5188		1.8296	3.1379	2.5493	3.7811	4.3766	3.8227	3.1233	2.5189	3.7765
H7	2.2491	1.0846	2.2586	3.5188	2.7716	1.8296		2.5493	3.1379	4.3766	3.7811	3.1233	3.8227	3.7765	2.5189
H8	2.2491	2.2586	1.0846	3.5188	2.7716	3.1379	2.5493		1.8296	3.8227	3.1233	3.7811	4.3766	3.7765	2.5189
H9	2.2491	2.2586	1.0846	2.7716	3.5188	2.5493	3.1379	1.8296		3.1233	3.8227	4.3766	3.7811	2.5189	3.7765
H10	2.1655	3.5008	3.0843	1.0970	2.8327	3.7811	4.3766	3.8227	3.1233		2.6553	3.1975	1.7814	1.7796	3.8284
H11	2.1655	3.5008	3.0843	2.8327	1.0970	4.3766	3.7811	3.1233	3.8227	2.6553		1.7814	3.1975	3.8284	1.7796
H12	2.1655	3.0843	3.5008	2.8327	1.0970	3.8227	3.1233	3.7811	4.3766	3.1975	1.7814		2.6553	3.8284	1.7796
H13	2.1655	3.0843	3.5008	1.0970	2.8327	3.1233	3.8227	4.3766	3.7811	1.7814	3.1975	2.6553		1.7796	3.8284
H14	2.1699	2.7359	2.7359	1.0964	3.5097	2.5189	3.7765	3.7765	2.5189	1.7796	3.8284	3.8284	1.7796		4.3270
H15	2.1699	2.7359	2.7359	3.5097	1.0964	3.7765	2.5189	2.5189	3.7765	3.8284	1.7796	1.7796	3.8284	4.3270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.764	C1	C2	H6	117.776
C1	C2	H7	117.776	C1	C3	C2	59.764
C1	C3	H8	117.776	C1	C3	H9	117.776
C1	C4	H10	110.305	C1	C4	H13	110.305
C1	C4	H14	110.687	C1	C5	H11	110.305
C1	C5	H12	110.305	C1	C5	H15	110.687
C2	C1	C3	60.472	C2	C1	C4	117.750
C2	C1	C5	117.750	C2	C3	H8	117.744
C2	C3	H9	117.744	C3	C1	C4	117.750
C3	C1	C5	117.750	C3	C2	H6	117.744
C3	C2	H7	117.744	C4	C1	C5	114.779
H6	C2	H7	115.016	H8	C3	H9	115.016
H10	C4	H13	108.578	H10	C4	H14	108.451
H11	C5	H12	108.578	H11	C5	H15	108.451
H12	C5	H15	108.451	H13	C4	H14	108.451

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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