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	hartrees
Energy at 0K	-33.842974
Energy at 298.15K	-33.853668
HF Energy	-33.223623
Nuclear repulsion energy	102.384242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3119	30.19
2	A	3270	3105	0.00
3	A	3177	3016	40.55
4	A	3173	3013	18.13
5	A	3172	3011	17.33
6	A	3171	3010	24.53
7	A	3163	3003	69.98
8	A	3160	3000	0.01
9	A	3069	2914	39.41
10	A	3068	2913	41.25
11	A	1564	1485	0.99
12	A	1526	1449	8.22
13	A	1526	1448	8.11
14	A	1514	1437	4.89
15	A	1508	1432	0.00
16	A	1490	1414	3.94
17	A	1452	1379	0.12
18	A	1447	1374	9.03
19	A	1390	1320	1.30
20	A	1348	1280	0.45
21	A	1181	1122	0.00
22	A	1177	1118	8.79
23	A	1097	1042	0.97
24	A	1078	1023	0.00
25	A	1061	1007	13.74
26	A	1054	1000	2.60
27	A	986	936	1.40
28	A	969	920	0.52
29	A	967	918	15.79
30	A	892	847	0.00
31	A	880	835	9.01
32	A	794	753	0.20
33	A	691	656	2.57
34	A	385	365	1.75
35	A	347	330	0.03
36	A	346	328	0.87
37	A	328	311	0.00
38	A	236	224	0.05
39	A	210	199	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.153	-0.000	-0.000
C2	-1.163	-0.001	0.772
C3	-1.163	-0.000	-0.772
C4	0.979	-1.287	-0.000
C5	0.978	1.288	0.000
H6	-1.465	-0.926	1.277
H7	-1.466	0.924	1.278
H8	-1.466	0.925	-1.277
H9	-1.466	-0.925	-1.277
H10	1.627	-1.331	-0.896
H11	1.624	1.334	-0.897
H12	1.625	-1.333	0.897
H13	0.328	-2.181	-0.001
H14	0.326	2.181	0.001
H15	1.626	1.333	0.896

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5258	1.5258	1.5293	1.5293	2.2598	2.2601	2.2597	2.2600	2.1788	2.1787	2.1786	2.1876	2.1876	2.1787
C2	1.5258		1.5445	2.6148	2.6148	1.0964	1.0964	2.2687	2.2688	3.5122	3.5118	3.0921	2.7520	2.7515	3.0932
C3	1.5258	1.5445		2.6151	2.6147	2.2686	2.2688	1.0964	1.0964	3.0936	3.0923	3.5119	2.7517	2.7516	3.5120
C4	1.5293	2.6148	2.6151		2.5756	2.7807	3.5353	3.5354	2.7815	1.1066	2.8445	1.1066	1.1048	3.5290	2.8438
C5	1.5293	2.6148	2.6147	2.5756		3.5353	2.7812	2.7804	3.5353	2.8438	1.1066	2.8445	3.5290	1.1048	1.1066
H6	2.2598	1.0964	2.2686	2.7807	3.5353		1.8500	3.1536	2.5540	3.8006	4.4016	3.1400	2.5344	3.8064	3.8471
H7	2.2601	1.0964	2.2688	3.5353	2.7812	1.8500		2.5542	3.1537	4.4019	3.8006	3.8460	3.8069	2.5341	3.1418
H8	2.2597	2.2687	1.0964	3.5354	2.7804	3.1536	2.5542		1.8499	3.8473	3.1400	4.4015	3.8066	2.5339	3.8003
H9	2.2600	2.2688	1.0964	2.7815	3.5353	2.5540	3.1537	1.8499		3.1425	3.8463	3.8008	2.5344	3.8067	4.4018
H10	2.1788	3.5122	3.0936	1.1066	2.8438	3.8006	4.4019	3.8473	3.1425		2.6652	1.7925	1.7910	3.8512	3.2106
H11	2.1787	3.5118	3.0923	2.8445	1.1066	4.4016	3.8006	3.1400	3.8463	2.6652		3.2132	3.8512	1.7910	1.7925
H12	2.1786	3.0921	3.5119	1.1066	2.8445	3.1400	3.8460	4.4015	3.8008	1.7925	3.2132		1.7911	3.8512	2.6652
H13	2.1876	2.7520	2.7517	1.1048	3.5290	2.5344	3.8069	3.8066	2.5344	1.7910	3.8512	1.7911		4.3613	3.8512
H14	2.1876	2.7515	2.7516	3.5290	1.1048	3.8064	2.5341	2.5339	3.8067	3.8512	1.7910	3.8512	4.3613		1.7910
H15	2.1787	3.0932	3.5120	2.8438	1.1066	3.8471	3.1418	3.8003	4.4018	3.2106	1.7925	2.6652	3.8512	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.593	C1	C2	H6	118.107
C1	C2	H7	118.132	C1	C3	C2	59.594
C1	C3	H8	118.105	C1	C3	H9	118.131
C1	C4	H10	110.472	C1	C4	H13	111.280
C1	C4	H14	22.012	C1	C5	H11	110.464
C1	C5	H12	49.210	C1	C5	H15	110.470
C2	C1	C3	60.813	C2	C1	C4	117.716
C2	C1	C5	117.717	C2	C3	H8	117.410
C2	C3	H9	117.418	C3	C1	C4	117.735
C3	C1	C5	117.706	C3	C2	H6	117.402
C3	C2	H7	117.423	C4	C1	C5	114.727
H6	C2	H7	115.050	H8	C3	H9	115.049
H10	C4	H13	108.173	H10	C4	H14	98.490
H11	C5	H12	99.220	H11	C5	H15	108.173
H12	C5	H15	69.426	H13	C4	H14	133.292

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

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

using model chemistry: MP2/CEP-31G*

States and conformations

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