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	hartrees
Energy at 0K	-196.150818
Energy at 298.15K	-196.161674
HF Energy	-195.200983
Nuclear repulsion energy	186.035288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3030	6.92
2	A₁	3153	2994	32.24
3	A₁	3074	2919	31.17
4	A₁	1547	1469	0.04
5	A₁	1524	1447	7.50
6	A₁	1432	1359	0.18
7	A₁	1386	1315	0.68
8	A₁	1101	1045	0.04
9	A₁	1034	982	14.54
10	A₁	974	925	10.34
11	A₁	708	672	1.37
12	A₁	347	330	0.06
13	A₂	3264	3098	0.00
14	A₂	3140	2981	0.00
15	A₂	1504	1428	0.00
16	A₂	1193	1133	0.00
17	A₂	1075	1020	0.00
18	A₂	906	860	0.00
19	A₂	337	320	0.00
20	A₂	231	220	0.00
21	B₁	3186	3025	15.42
22	B₁	3141	2982	44.39
23	B₁	1523	1445	7.20
24	B₁	1486	1410	5.04
25	B₁	1171	1112	3.76
26	B₁	1067	1013	0.74
27	B₁	886	841	6.60
28	B₁	389	370	0.84
29	B₁	259	245	0.01
30	B₂	3275	3110	13.91
31	B₂	3151	2992	11.35
32	B₂	3071	2916	30.70
33	B₂	1519	1442	4.49
34	B₂	1425	1353	9.97
35	B₂	1349	1281	0.00
36	B₂	983	933	0.65
37	B₂	974	924	0.01
38	B₂	797	757	0.01
39	B₂	350	332	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.153
C2	0.755	0.000	-1.139
C3	-0.755	0.000	-1.139
C4	0.000	1.263	0.957
C5	0.000	-1.263	0.957
H6	1.255	0.907	-1.431
H7	1.255	-0.907	-1.431
H8	-1.255	-0.907	-1.431
H9	-1.255	0.907	-1.431
H10	-0.881	1.314	1.593
H11	-0.881	-1.314	1.593
H12	0.881	-1.314	1.593
H13	0.881	1.314	1.593
H14	0.000	2.134	0.308
H15	0.000	-2.134	0.308

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4966	1.4966	1.4970	1.4970	2.2156	2.2156	2.2156	2.2156	2.1388	2.1388	2.1388	2.1388	2.1394	2.1394
C2	1.4966		1.5090	2.5611	2.5611	1.0764	1.0764	2.2239	2.2239	3.4446	3.4446	3.0342	3.0342	2.6863	2.6863
C3	1.4966	1.5090		2.5611	2.5611	2.2239	2.2239	1.0764	1.0764	3.0342	3.0342	3.4446	3.4446	2.6863	2.6863
C4	1.4970	2.5611	2.5611		2.5256	2.7216	3.4625	3.4625	2.7216	1.0875	2.7964	2.7964	1.0875	1.0864	3.4581
C5	1.4970	2.5611	2.5611	2.5256		3.4625	2.7216	2.7216	3.4625	2.7964	1.0875	1.0875	2.7964	3.4581	1.0864
H6	2.2156	1.0764	2.2239	2.7216	3.4625		1.8141	3.0968	2.5098	3.7247	4.3175	3.7707	3.0743	2.4708	3.7211
H7	2.2156	1.0764	2.2239	3.4625	2.7216	1.8141		2.5098	3.0968	4.3175	3.7247	3.0743	3.7707	3.7211	2.4708
H8	2.2156	2.2239	1.0764	3.4625	2.7216	3.0968	2.5098		1.8141	3.7707	3.0743	3.7247	4.3175	3.7211	2.4708
H9	2.2156	2.2239	1.0764	2.7216	3.4625	2.5098	3.0968	1.8141		3.0743	3.7707	4.3175	3.7247	2.4708	3.7211
H10	2.1388	3.4446	3.0342	1.0875	2.7964	3.7247	4.3175	3.7707	3.0743		2.6279	3.1639	1.7619	1.7605	3.7834
H11	2.1388	3.4446	3.0342	2.7964	1.0875	4.3175	3.7247	3.0743	3.7707	2.6279		1.7619	3.1639	3.7834	1.7605
H12	2.1388	3.0342	3.4446	2.7964	1.0875	3.7707	3.0743	3.7247	4.3175	3.1639	1.7619		2.6279	3.7834	1.7605
H13	2.1388	3.0342	3.4446	1.0875	2.7964	3.0743	3.7707	4.3175	3.7247	1.7619	3.1639	2.6279		1.7605	3.7834
H14	2.1394	2.6863	2.6863	1.0864	3.4581	2.4708	3.7211	3.7211	2.4708	1.7605	3.7834	3.7834	1.7605		4.2675
H15	2.1394	2.6863	2.6863	3.4581	1.0864	3.7211	2.4708	2.4708	3.7211	3.7834	1.7605	1.7605	3.7834	4.2675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.726	C1	C2	H6	117.959
C1	C2	H7	117.959	C1	C3	C2	59.726
C1	C3	H8	117.959	C1	C3	H9	117.959
C1	C4	H10	110.702	C1	C4	H13	110.702
C1	C4	H14	110.810	C1	C5	H11	110.702
C1	C5	H12	110.702	C1	C5	H15	110.810
C2	C1	C3	60.549	C2	C1	C4	117.631
C2	C1	C5	117.631	C2	C3	H8	117.705
C2	C3	H9	117.705	C3	C1	C4	117.631
C3	C1	C5	117.631	C3	C2	H6	117.705
C3	C2	H7	117.705	C4	C1	C5	115.038
H6	C2	H7	114.853	H8	C3	H9	114.853
H10	C4	H13	108.207	H10	C4	H14	108.159
H11	C5	H12	108.207	H11	C5	H15	108.159
H12	C5	H15	108.159	H13	C4	H14	108.159

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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