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	hartrees
Energy at 0K	-195.728142
Energy at 298.15K	-195.739153
HF Energy	-195.132540
Nuclear repulsion energy	185.142799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3090	26.62
2	A	3324	3078	0.00
3	A	3255	3013	11.52
4	A	3246	3005	21.22
5	A	3226	2986	39.51
6	A	3223	2984	17.90
7	A	3214	2975	63.97
8	A	3210	2972	0.00
9	A	3146	2912	34.33
10	A	3140	2907	30.86
11	A	1624	1504	0.43
12	A	1600	1481	5.25
13	A	1596	1477	5.43
14	A	1589	1472	4.29
15	A	1577	1460	0.00
16	A	1560	1444	3.15
17	A	1523	1410	0.00
18	A	1513	1401	7.51
19	A	1449	1341	0.89
20	A	1404	1300	0.52
21	A	1258	1165	0.00
22	A	1241	1149	5.84
23	A	1162	1076	1.52
24	A	1156	1070	0.70
25	A	1129	1045	0.00
26	A	1125	1041	5.41
27	A	1027	951	0.53
28	A	1011	936	14.36
29	A	1007	932	0.47
30	A	955	884	0.00
31	A	923	855	7.49
32	A	834	772	0.09
33	A	728	674	1.88
34	A	415	384	1.03
35	A	377	349	0.74
36	A	369	341	0.02
37	A	348	322	0.00
38	A	257	238	0.01
39	A	229	212	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.147	-0.000	-0.000
C2	1.149	-0.000	0.752
C3	1.149	-0.000	-0.752
C4	-0.967	1.269	-0.000
C5	-0.968	-1.269	0.000
H6	1.447	0.907	1.260
H7	1.447	-0.907	1.260
H8	1.447	-0.907	-1.260
H9	1.448	0.906	-1.260
H10	-1.607	1.319	0.882
H11	-1.607	-1.318	-0.882
H12	-0.329	2.152	-0.000
H13	-1.608	1.318	-0.882
H14	-0.329	-2.152	0.000
H15	-1.608	-1.318	0.882

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4989	1.4989	1.5112	1.5112	2.2256	2.2257	2.2256	2.2257	2.1561	2.1561	2.1601	2.1561	2.1601	2.1561
C2	1.4989		1.5041	2.5801	2.5802	1.0813	1.0813	2.2272	2.2272	3.0584	3.4654	2.7172	3.4655	2.7172	3.0587
C3	1.4989	1.5041		2.5802	2.5802	2.2272	2.2273	1.0813	1.0813	3.4654	3.0585	2.7171	3.0588	2.7173	3.4655
C4	1.5112	2.5801	2.5802		2.5388	2.7478	3.4864	3.4864	2.7480	1.0912	2.8081	1.0897	1.0912	3.4809	2.8079
C5	1.5112	2.5802	2.5802	2.5388		3.4864	2.7481	2.7479	3.4864	2.8082	1.0912	3.4809	2.8079	1.0897	1.0912
H6	2.2256	1.0813	2.2272	2.7478	3.4864		1.8133	3.1051	2.5207	3.1052	4.3444	2.5090	3.7540	3.7551	3.7983
H7	2.2257	1.0813	2.2273	3.4864	2.7481	1.8133		2.5207	3.1051	3.7980	3.7542	3.7552	4.3445	2.5092	3.1059
H8	2.2256	2.2272	1.0813	3.4864	2.7479	3.1051	2.5207		1.8133	4.3444	3.1054	3.7551	3.7983	2.5091	3.7541
H9	2.2257	2.2272	1.0813	2.7480	3.4864	2.5207	3.1051	1.8133		3.7541	3.7981	2.5090	3.1059	3.7552	4.3445
H10	2.1561	3.0584	3.4654	1.0912	2.8082	3.1052	3.7980	4.3444	3.7541		3.1732	1.7633	1.7647	3.8027	2.6368
H11	2.1561	3.4654	3.0585	2.8081	1.0912	4.3444	3.7542	3.1054	3.7981	3.1732		3.8026	2.6368	1.7633	1.7647
H12	2.1601	2.7172	2.7171	1.0897	3.4809	2.5090	3.7552	3.7551	2.5090	1.7633	3.8026		1.7633	4.3048	3.8027
H13	2.1561	3.4655	3.0588	1.0912	2.8079	3.7540	4.3445	3.7983	3.1059	1.7647	2.6368	1.7633		3.8026	3.1725
H14	2.1601	2.7172	2.7173	3.4809	1.0897	3.7551	2.5092	2.5091	3.7552	3.8027	1.7633	4.3048	3.8026		1.7633
H15	2.1561	3.0587	3.4655	2.8079	1.0912	3.7983	3.1059	3.7541	4.3445	2.6368	1.7647	3.8027	3.1725	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.886	C1	C2	H6	118.311
C1	C2	H7	118.322	C1	C3	C2	59.886
C1	C3	H8	118.313	C1	C3	H9	118.320
C1	C4	H10	110.857	C1	C4	H13	110.858
C1	C4	H14	22.292	C1	C5	H11	110.856
C1	C5	H12	22.292	C1	C5	H15	110.857
C2	C1	C3	60.227	C2	C1	C4	117.991
C2	C1	C5	117.998	C2	C3	H8	118.037
C2	C3	H9	118.042	C3	C1	C4	117.995
C3	C1	C5	117.995	C3	C2	H6	118.036
C3	C2	H7	118.044	C4	C1	C5	114.274
H6	C2	H7	113.954	H8	C3	H9	113.955
H10	C4	H13	107.921	H10	C4	H14	98.731
H11	C5	H12	98.728	H11	C5	H15	107.922
H12	C5	H15	98.729	H13	C4	H14	98.727

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

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

States and conformations

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