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	hartrees
Energy at 0K	-195.869861
Energy at 298.15K	-195.880779
HF Energy	-195.148727
Nuclear repulsion energy	185.022918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3020	12.28
2	A	3212	3008	32.23
3	A	3111	2913	29.36
4	A	1580	1480	0.00
5	A	1562	1463	4.12
6	A	1473	1379	0.25
7	A	1411	1321	0.76
8	A	1128	1057	1.08
9	A	1089	1019	8.14
10	A	989	926	11.00
11	A	712	667	1.30
12	A	357	334	0.02
13	A	3312	3102	0.00
14	A	3197	2994	0.00
15	A	1540	1442	0.00
16	A	1226	1148	0.00
17	A	1100	1030	0.00
18	A	928	869	0.00
19	A	340	318	0.00
20	A	233	218	0.00
21	A	3219	3015	15.84
22	A	3199	2996	52.51
23	A	1559	1460	4.62
24	A	1522	1426	2.06
25	A	1204	1128	3.89
26	A	1104	1034	0.90
27	A	898	841	5.65
28	A	400	375	0.91
29	A	260	243	0.01
30	A	3324	3113	19.08
31	A	3210	3006	13.57
32	A	3108	2911	29.96
33	A	1555	1456	3.98
34	A	1462	1369	5.03
35	A	1370	1283	0.46
36	A	1002	938	0.52
37	A	988	926	0.35
38	A	813	761	0.17
39	A	364	341	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.755	0.000	-1.149
C3	-0.755	0.000	-1.149
C4	0.000	1.271	0.966
C5	0.000	-1.271	0.966
H6	1.260	0.909	-1.444
H7	1.260	-0.909	-1.444
H8	-1.260	-0.909	-1.444
H9	-1.260	0.909	-1.444
H10	-0.883	1.322	1.606
H11	-0.883	-1.322	1.606
H12	0.883	-1.322	1.606
H13	0.883	1.322	1.606
H14	0.000	2.149	0.320
H15	0.000	-2.149	0.320

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5036	1.5036	1.5099	1.5099	2.2270	2.2270	2.2270	2.2270	2.1552	2.1552	2.1552	2.1552	2.1557	2.1557
C2	1.5036		1.5092	2.5809	2.5809	1.0815	1.0815	2.2302	2.2302	3.4673	3.4673	3.0589	3.0589	2.7107	2.7107
C3	1.5036	1.5092		2.5809	2.5809	2.2302	2.2302	1.0815	1.0815	3.0589	3.0589	3.4673	3.4673	2.7107	2.7107
C4	1.5099	2.5809	2.5809		2.5419	2.7438	3.4860	3.4860	2.7438	1.0916	2.8132	2.8132	1.0916	1.0901	3.4805
C5	1.5099	2.5809	2.5809	2.5419		3.4860	2.7438	2.7438	3.4860	2.8132	1.0916	1.0916	2.8132	3.4805	1.0901
H6	2.2270	1.0815	2.2302	2.7438	3.4860		1.8190	3.1085	2.5207	3.7504	4.3447	3.7980	3.1006	2.4975	3.7491
H7	2.2270	1.0815	2.2302	3.4860	2.7438	1.8190		2.5207	3.1085	4.3447	3.7504	3.1006	3.7980	3.7491	2.4975
H8	2.2270	2.2302	1.0815	3.4860	2.7438	3.1085	2.5207		1.8190	3.7980	3.1006	3.7504	4.3447	3.7491	2.4975
H9	2.2270	2.2302	1.0815	2.7438	3.4860	2.5207	3.1085	1.8190		3.1006	3.7980	4.3447	3.7504	2.4975	3.7491
H10	2.1552	3.4673	3.0589	1.0916	2.8132	3.7504	4.3447	3.7980	3.1006		2.6447	3.1803	1.7662	1.7651	3.8057
H11	2.1552	3.4673	3.0589	2.8132	1.0916	4.3447	3.7504	3.1006	3.7980	2.6447		1.7662	3.1803	3.8057	1.7651
H12	2.1552	3.0589	3.4673	2.8132	1.0916	3.7980	3.1006	3.7504	4.3447	3.1803	1.7662		2.6447	3.8057	1.7651
H13	2.1552	3.0589	3.4673	1.0916	2.8132	3.1006	3.7980	4.3447	3.7504	1.7662	3.1803	2.6447		1.7651	3.8057
H14	2.1557	2.7107	2.7107	1.0901	3.4805	2.4975	3.7491	3.7491	2.4975	1.7651	3.8057	3.8057	1.7651		4.2981
H15	2.1557	2.7107	2.7107	3.4805	1.0901	3.7491	2.4975	2.4975	3.7491	3.8057	1.7651	1.7651	3.8057	4.2981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.877	C1	C2	H6	118.047
C1	C2	H7	118.047	C1	C3	C2	59.877
C1	C3	H8	118.047	C1	C3	H9	118.047
C1	C4	H10	110.854	C1	C4	H13	110.854
C1	C4	H14	110.983	C1	C5	H11	110.854
C1	C5	H12	110.854	C1	C5	H15	110.983
C2	C1	C3	60.246	C2	C1	C4	117.840
C2	C1	C5	117.840	C2	C3	H8	117.881
C2	C3	H9	117.881	C3	C1	C4	117.840
C3	C1	C5	117.840	C3	C2	H6	117.881
C3	C2	H7	117.881	C4	C1	C5	114.644
H6	C2	H7	114.479	H8	C3	H9	114.479
H10	C4	H13	108.003	H10	C4	H14	108.011
H11	C5	H12	108.003	H11	C5	H15	108.011
H12	C5	H15	108.011	H13	C4	H14	108.011

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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