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	hartrees
Energy at 0K	-33.544785
Energy at 298.15K	-33.555456
HF Energy	-33.132151
Nuclear repulsion energy	100.927095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3142	57.77
2	A	3235	3126	0.00
3	A	3139	3033	20.65
4	A	3130	3025	34.98
5	A	3123	3018	70.15
6	A	3119	3014	28.43
7	A	3113	3008	112.06
8	A	3109	3004	0.00
9	A	3014	2912	50.09
10	A	3012	2910	55.89
11	A	1541	1489	0.25
12	A	1529	1477	8.07
13	A	1528	1476	8.10
14	A	1519	1468	6.03
15	A	1513	1462	0.00
16	A	1499	1448	4.07
17	A	1455	1406	0.37
18	A	1443	1394	9.24
19	A	1377	1331	1.73
20	A	1344	1298	2.13
21	A	1199	1159	0.00
22	A	1187	1147	10.84
23	A	1124	1086	17.58
24	A	1116	1078	2.51
25	A	1091	1054	0.00
26	A	1084	1048	0.17
27	A	995	961	0.69
28	A	964	932	0.94
29	A	933	902	14.97
30	A	927	896	0.00
31	A	836	808	11.19
32	A	818	790	0.29
33	A	661	639	3.06
34	A	393	380	1.97
35	A	356	344	0.80
36	A	347	335	0.03
37	A	323	312	0.00
38	A	215	207	0.02
39	A	190	183	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.157	-0.000	-0.000
C2	-1.188	-0.000	0.787
C3	-1.188	0.000	-0.787
C4	0.999	-1.305	-0.000
C5	0.999	1.305	0.000
H6	-1.493	-0.928	1.297
H7	-1.493	0.927	1.298
H8	-1.493	0.928	-1.297
H9	-1.493	-0.928	-1.298
H10	1.651	-1.345	-0.902
H11	1.650	1.346	-0.902
H12	1.650	-1.346	0.902
H13	0.346	-2.205	-0.001
H14	0.346	2.205	0.001
H15	1.651	1.346	0.902

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5586	1.5586	1.5534	1.5534	2.2947	2.2948	2.2948	2.2948	2.2035	2.2034	2.2034	2.2130	2.2130	2.2035
C2	1.5586		1.5748	2.6661	2.6661	1.1019	1.1019	2.3024	2.3025	3.5670	3.5667	3.1430	2.7994	2.7990	3.1438
C3	1.5586	1.5748		2.6662	2.6660	2.3024	2.3025	1.1019	1.1019	3.1439	3.1430	3.5668	2.7991	2.7993	3.5669
C4	1.5534	2.6661	2.6662		2.6102	2.8347	3.5889	3.5890	2.8350	1.1132	2.8752	1.1132	1.1118	3.5703	2.8746
C5	1.5534	2.6661	2.6660	2.6102		3.5889	2.8349	2.8347	3.5889	2.8745	1.1132	2.8752	3.5703	1.1118	1.1132
H6	2.2947	1.1019	2.3024	2.8347	3.5889		1.8558	3.1905	2.5953	3.8591	4.4595	3.1946	2.5879	3.8572	3.8996
H7	2.2948	1.1019	2.3025	3.5889	2.8349	1.8558		2.5954	3.1906	4.4595	3.8590	3.8989	3.8576	2.5875	3.1958
H8	2.2948	2.3024	1.1019	3.5890	2.8347	3.1905	2.5954		1.8558	3.8997	3.1946	4.4595	3.8573	2.5878	3.8590
H9	2.2948	2.3025	1.1019	2.8350	3.5889	2.5953	3.1906	1.8558		3.1960	3.8990	3.8590	2.5876	3.8575	4.4595
H10	2.2035	3.5670	3.1439	1.1132	2.8745	3.8591	4.4595	3.8997	3.1960		2.6915	1.8043	1.8035	3.8886	3.2393
H11	2.2034	3.5667	3.1430	2.8752	1.1132	4.4595	3.8590	3.1946	3.8990	2.6915		3.2413	3.8887	1.8035	1.8043
H12	2.2034	3.1430	3.5668	1.1132	2.8752	3.1946	3.8989	4.4595	3.8590	1.8043	3.2413		1.8035	3.8887	2.6916
H13	2.2130	2.7994	2.7991	1.1118	3.5703	2.5879	3.8576	3.8573	2.5876	1.8035	3.8887	1.8035		4.4098	3.8887
H14	2.2130	2.7990	2.7993	3.5703	1.1118	3.8572	2.5875	2.5878	3.8575	3.8886	1.8035	3.8887	4.4098		1.8035
H15	2.2035	3.1438	3.5669	2.8746	1.1132	3.8996	3.1958	3.8590	4.4595	3.2393	1.8043	2.6916	3.8887	1.8035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.655	C1	C2	H6	118.191
C1	C2	H7	118.200	C1	C3	C2	59.656
C1	C3	H8	118.193	C1	C3	H9	118.200
C1	C4	H10	110.355	C1	C4	H13	111.184
C1	C4	H14	22.300	C1	C5	H11	110.352
C1	C5	H12	49.303	C1	C5	H15	110.355
C2	C1	C3	60.689	C2	C1	C4	117.904
C2	C1	C5	117.906	C2	C3	H8	117.585
C2	C3	H9	117.590	C3	C1	C4	117.911
C3	C1	C5	117.900	C3	C2	H6	117.582
C3	C2	H7	117.594	C4	C1	C5	114.319
H6	C2	H7	114.726	H8	C3	H9	114.725
H10	C4	H13	108.298	H10	C4	H14	98.211
H11	C5	H12	98.988	H11	C5	H15	108.262
H12	C5	H15	69.313	H13	C4	H14	133.484

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-)