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	hartrees
Energy at 0K	-196.070216
Energy at 298.15K	-196.081035
HF Energy	-195.200901
Nuclear repulsion energy	185.243881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3015	8.16
2	A₁	3152	2993	32.54
3	A₁	3057	2903	30.81
4	A₁	1535	1457	0.05
5	A₁	1514	1437	7.02
6	A₁	1425	1353	0.09
7	A₁	1374	1304	0.89
8	A₁	1095	1040	0.04
9	A₁	1036	983	13.99
10	A₁	967	918	10.01
11	A₁	700	664	1.36
12	A₁	342	325	0.06
13	A₂	3263	3098	0.00
14	A₂	3137	2978	0.00
15	A₂	1495	1419	0.00
16	A₂	1191	1131	0.00
17	A₂	1071	1017	0.00
18	A₂	902	856	0.00
19	A₂	334	317	0.00
20	A₂	226	215	0.00
21	B₁	3171	3011	15.46
22	B₁	3138	2979	45.82
23	B₁	1513	1436	7.01
24	B₁	1476	1402	4.61
25	B₁	1164	1105	3.52
26	B₁	1065	1012	0.75
27	B₁	877	833	6.64
28	B₁	387	368	0.83
29	B₁	257	244	0.01
30	B₂	3275	3110	14.57
31	B₂	3151	2992	11.30
32	B₂	3055	2901	31.39
33	B₂	1509	1433	4.27
34	B₂	1416	1344	9.21
35	B₂	1341	1273	0.06
36	B₂	979	930	0.57
37	B₂	968	919	0.04
38	B₂	794	754	0.01
39	B₂	351	333	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.154
C2	0.757	0.000	-1.145
C3	-0.757	0.000	-1.145
C4	0.000	1.268	0.962
C5	0.000	-1.268	0.962
H6	1.260	0.910	-1.438
H7	1.260	-0.910	-1.438
H8	-1.260	-0.910	-1.438
H9	-1.260	0.910	-1.438
H10	-0.883	1.320	1.600
H11	-0.883	-1.320	1.600
H12	0.883	-1.320	1.600
H13	0.883	1.320	1.600
H14	0.000	2.144	0.313
H15	0.000	-2.144	0.313

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5033	1.5033	1.5043	1.5043	2.2246	2.2246	2.2246	2.2246	2.1483	2.1483	2.1483	2.1483	2.1496	2.1496
C2	1.5033		1.5136	2.5737	2.5737	1.0803	1.0803	2.2318	2.2318	3.4599	3.4599	3.0491	3.0491	2.7010	2.7010
C3	1.5033	1.5136		2.5737	2.5737	2.2318	2.2318	1.0803	1.0803	3.0491	3.0491	3.4599	3.4599	2.7010	2.7010
C4	1.5043	2.5737	2.5737		2.5368	2.7345	3.4778	3.4778	2.7345	1.0909	2.8080	2.8080	1.0909	1.0897	3.4733
C5	1.5043	2.5737	2.5737	2.5368		3.4778	2.7345	2.7345	3.4778	2.8080	1.0909	1.0909	2.8080	3.4733	1.0897
H6	2.2246	1.0803	2.2318	2.7345	3.4778		1.8203	3.1084	2.5197	3.7408	4.3356	3.7876	3.0890	2.4850	3.7389
H7	2.2246	1.0803	2.2318	3.4778	2.7345	1.8203		2.5197	3.1084	4.3356	3.7408	3.0890	3.7876	3.7389	2.4850
H8	2.2246	2.2318	1.0803	3.4778	2.7345	3.1084	2.5197		1.8203	3.7876	3.0890	3.7408	4.3356	3.7389	2.4850
H9	2.2246	2.2318	1.0803	2.7345	3.4778	2.5197	3.1084	1.8203		3.0890	3.7876	4.3356	3.7408	2.4850	3.7389
H10	2.1483	3.4599	3.0491	1.0909	2.8080	3.7408	4.3356	3.7876	3.0890		2.6391	3.1758	1.7666	1.7654	3.7989
H11	2.1483	3.4599	3.0491	2.8080	1.0909	4.3356	3.7408	3.0890	3.7876	2.6391		1.7666	3.1758	3.7989	1.7654
H12	2.1483	3.0491	3.4599	2.8080	1.0909	3.7876	3.0890	3.7408	4.3356	3.1758	1.7666		2.6391	3.7989	1.7654
H13	2.1483	3.0491	3.4599	1.0909	2.8080	3.0890	3.7876	4.3356	3.7408	1.7666	3.1758	2.6391		1.7654	3.7989
H14	2.1496	2.7010	2.7010	1.0897	3.4733	2.4850	3.7389	3.7389	2.4850	1.7654	3.7989	3.7989	1.7654		4.2873
H15	2.1496	2.7010	2.7010	3.4733	1.0897	3.7389	2.4850	2.4850	3.7389	3.7989	1.7654	1.7654	3.7989	4.2873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.774	C1	C2	H6	117.936
C1	C2	H7	117.936	C1	C3	C2	59.774
C1	C3	H8	117.936	C1	C3	H9	117.936
C1	C4	H10	110.733	C1	C4	H13	110.733
C1	C4	H14	110.913	C1	C5	H11	110.733
C1	C5	H12	110.733	C1	C5	H15	110.913
C2	C1	C3	60.452	C2	C1	C4	117.681
C2	C1	C5	117.681	C2	C3	H8	117.754
C2	C3	H9	117.754	C3	C1	C4	117.681
C3	C1	C5	117.681	C3	C2	H6	117.754
C3	C2	H7	117.754	C4	C1	C5	114.954
H6	C2	H7	114.806	H8	C3	H9	114.806
H10	C4	H13	108.133	H10	C4	H14	108.110
H11	C5	H12	108.133	H11	C5	H15	108.110
H12	C5	H15	108.110	H13	C4	H14	108.110

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

using model chemistry: MP2/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/cc-pVTZ

States and conformations

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