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	hartrees
Energy at 0K	-195.904833
Energy at 298.15K	-195.915735
HF Energy	-195.151126
Nuclear repulsion energy	185.056439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3022	12.96
2	A	3202	3007	34.24
3	A	3100	2911	38.04
4	A	1569	1473	0.07
5	A	1551	1457	7.02
6	A	1462	1373	0.01
7	A	1403	1317	0.76
8	A	1116	1048	0.18
9	A	1080	1014	15.22
10	A	981	921	12.95
11	A	707	664	1.91
12	A	357	335	0.13
13	A	3305	3104	0.00
14	A	3186	2993	0.00
15	A	1526	1433	0.00
16	A	1218	1143	0.00
17	A	1093	1026	0.00
18	A	928	872	0.00
19	A	344	323	0.00
20	A	228	214	0.00
21	A	3212	3016	19.66
22	A	3188	2994	57.09
23	A	1544	1450	7.11
24	A	1513	1421	4.47
25	A	1191	1118	2.07
26	A	1098	1031	1.24
27	A	890	836	7.94
28	A	401	377	0.80
29	A	253	238	0.01
30	A	3317	3116	19.92
31	A	3201	3006	15.46
32	A	3097	2908	39.83
33	A	1540	1447	5.55
34	A	1452	1363	8.32
35	A	1363	1280	0.07
36	A	998	937	0.33
37	A	985	925	0.09
38	A	814	764	0.06
39	A	365	343	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.756	0.000	-1.148
C3	-0.756	0.000	-1.148
C4	0.000	1.271	0.966
C5	0.000	-1.271	0.966
H6	1.259	0.910	-1.444
H7	1.259	-0.910	-1.444
H8	-1.259	-0.910	-1.444
H9	-1.259	0.910	-1.444
H10	-0.884	1.321	1.604
H11	-0.884	-1.321	1.604
H12	0.884	-1.321	1.604
H13	0.884	1.321	1.604
H14	0.000	2.148	0.319
H15	0.000	-2.148	0.319

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5031	1.5031	1.5094	1.5094	2.2269	2.2269	2.2269	2.2269	2.1537	2.1537	2.1537	2.1537	2.1549	2.1549
C2	1.5031		1.5122	2.5795	2.5795	1.0813	1.0813	2.2311	2.2311	3.4655	3.4655	3.0557	3.0557	2.7092	2.7092
C3	1.5031	1.5122		2.5795	2.5795	2.2311	2.2311	1.0813	1.0813	3.0557	3.0557	3.4655	3.4655	2.7092	2.7092
C4	1.5094	2.5795	2.5795		2.5416	2.7428	3.4855	3.4855	2.7428	1.0914	2.8121	2.8121	1.0914	1.0898	3.4796
C5	1.5094	2.5795	2.5795	2.5416		3.4855	2.7428	2.7428	3.4855	2.8121	1.0914	1.0914	2.8121	3.4796	1.0898
H6	2.2269	1.0813	2.2311	2.7428	3.4855		1.8201	3.1074	2.5186	3.7489	4.3433	3.7965	3.0990	2.4958	3.7482
H7	2.2269	1.0813	2.2311	3.4855	2.7428	1.8201		2.5186	3.1074	4.3433	3.7489	3.0990	3.7965	3.7482	2.4958
H8	2.2269	2.2311	1.0813	3.4855	2.7428	3.1074	2.5186		1.8201	3.7965	3.0990	3.7489	4.3433	3.7482	2.4958
H9	2.2269	2.2311	1.0813	2.7428	3.4855	2.5186	3.1074	1.8201		3.0990	3.7965	4.3433	3.7489	2.4958	3.7482
H10	2.1537	3.4655	3.0557	1.0914	2.8121	3.7489	4.3433	3.7965	3.0990		2.6427	3.1791	1.7671	1.7652	3.8040
H11	2.1537	3.4655	3.0557	2.8121	1.0914	4.3433	3.7489	3.0990	3.7965	2.6427		1.7671	3.1791	3.8040	1.7652
H12	2.1537	3.0557	3.4655	2.8121	1.0914	3.7965	3.0990	3.7489	4.3433	3.1791	1.7671		2.6427	3.8040	1.7652
H13	2.1537	3.0557	3.4655	1.0914	2.8121	3.0990	3.7965	4.3433	3.7489	1.7671	3.1791	2.6427		1.7652	3.8040
H14	2.1549	2.7092	2.7092	1.0898	3.4796	2.4958	3.7482	3.7482	2.4958	1.7652	3.8040	3.8040	1.7652		4.2966
H15	2.1549	2.7092	2.7092	3.4796	1.0898	3.7482	2.4958	2.4958	3.7482	3.8040	1.7652	1.7652	3.8040	4.2966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.800	C1	C2	H6	118.092
C1	C2	H7	118.092	C1	C3	C2	59.800
C1	C3	H8	118.092	C1	C3	H9	118.092
C1	C4	H10	110.780	C1	C4	H13	110.780
C1	C4	H14	110.969	C1	C5	H11	110.780
C1	C5	H12	110.780	C1	C5	H15	110.969
C2	C1	C3	60.401	C2	C1	C4	117.798
C2	C1	C5	117.798	C2	C3	H8	117.734
C2	C3	H9	117.734	C3	C1	C4	117.798
C3	C1	C5	117.798	C3	C2	H6	117.734
C3	C2	H7	117.734	C4	C1	C5	114.687
H6	C2	H7	114.628	H8	C3	H9	114.628
H10	C4	H13	108.107	H10	C4	H14	108.044
H11	C5	H12	108.107	H11	C5	H15	108.044
H12	C5	H15	108.044	H13	C4	H14	108.044

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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