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	hartrees
Energy at 0K	-195.924926
Energy at 298.15K	-195.935736
HF Energy	-195.145193
Nuclear repulsion energy	183.218342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3027	11.26
2	A	3134	3007	37.07
3	A	3044	2921	36.92
4	A	1536	1474	0.35
5	A	1501	1440	5.08
6	A	1433	1375	0.11
7	A	1372	1317	1.14
8	A	1098	1053	0.23
9	A	1054	1011	5.21
10	A	967	928	10.96
11	A	700	671	1.66
12	A	350	335	0.05
13	A	3234	3103	0.00
14	A	3116	2990	0.00
15	A	1480	1420	0.00
16	A	1188	1140	0.00
17	A	1066	1022	0.00
18	A	896	860	0.00
19	A	332	319	0.00
20	A	222	213	0.00
21	A	3147	3019	18.97
22	A	3119	2992	60.28
23	A	1498	1437	5.27
24	A	1464	1404	2.79
25	A	1168	1121	3.87
26	A	1079	1035	0.40
27	A	878	843	6.44
28	A	393	377	0.75
29	A	251	241	0.00
30	A	3247	3115	23.56
31	A	3132	3005	16.38
32	A	3040	2917	33.53
33	A	1492	1432	3.24
34	A	1428	1370	4.66
35	A	1340	1285	0.54
36	A	977	937	0.56
37	A	962	923	0.02
38	A	788	756	0.08
39	A	357	343	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.153
C2	0.762	0.000	-1.159
C3	-0.762	0.000	-1.159
C4	0.000	1.280	0.974
C5	0.000	-1.280	0.974
H6	1.273	0.922	-1.460
H7	1.273	-0.922	-1.460
H8	-1.273	-0.922	-1.460
H9	-1.273	0.922	-1.460
H10	-0.895	1.333	1.623
H11	-0.895	-1.333	1.623
H12	0.895	-1.333	1.623
H13	0.895	1.333	1.623
H14	0.000	2.173	0.322
H15	0.000	-2.173	0.322

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5173	1.5173	1.5212	1.5212	2.2523	2.2523	2.2523	2.2523	2.1770	2.1770	2.1770	2.1770	2.1795	2.1795
C2	1.5173		1.5243	2.6021	2.6021	1.0964	1.0964	2.2542	2.2542	3.5020	3.5020	3.0878	3.0878	2.7380	2.7380
C3	1.5173	1.5243		2.6021	2.6021	2.2542	2.2542	1.0964	1.0964	3.0878	3.0878	3.5020	3.5020	2.7380	2.7380
C4	1.5212	2.6021	2.6021		2.5609	2.7703	3.5212	3.5212	2.7703	1.1070	2.8375	2.8375	1.1070	1.1052	3.5143
C5	1.5212	2.6021	2.6021	2.5609		3.5212	2.7703	2.7703	3.5212	2.8375	1.1070	1.1070	2.8375	3.5143	1.1052
H6	2.2523	1.0964	2.2542	2.7703	3.5212		1.8447	3.1433	2.5451	3.7916	4.3924	3.8388	3.1336	2.5221	3.7918
H7	2.2523	1.0964	2.2542	3.5212	2.7703	1.8447		2.5451	3.1433	4.3924	3.7916	3.1336	3.8388	3.7918	2.5221
H8	2.2523	2.2542	1.0964	3.5212	2.7703	3.1433	2.5451		1.8447	3.8388	3.1336	3.7916	4.3924	3.7918	2.5221
H9	2.2523	2.2542	1.0964	2.7703	3.5212	2.5451	3.1433	1.8447		3.1336	3.8388	4.3924	3.7916	2.5221	3.7918
H10	2.1770	3.5020	3.0878	1.1070	2.8375	3.7916	4.3924	3.8388	3.1336		2.6655	3.2110	1.7905	1.7888	3.8449
H11	2.1770	3.5020	3.0878	2.8375	1.1070	4.3924	3.7916	3.1336	3.8388	2.6655		1.7905	3.2110	3.8449	1.7888
H12	2.1770	3.0878	3.5020	2.8375	1.1070	3.8388	3.1336	3.7916	4.3924	3.2110	1.7905		2.6655	3.8449	1.7888
H13	2.1770	3.0878	3.5020	1.1070	2.8375	3.1336	3.8388	4.3924	3.7916	1.7905	3.2110	2.6655		1.7888	3.8449
H14	2.1795	2.7380	2.7380	1.1052	3.5143	2.5221	3.7918	3.7918	2.5221	1.7888	3.8449	3.8449	1.7888		4.3458
H15	2.1795	2.7380	2.7380	3.5143	1.1052	3.7918	2.5221	2.5221	3.7918	3.8449	1.7888	1.7888	3.8449	4.3458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.846	C1	C2	H6	118.134
C1	C2	H7	118.134	C1	C3	C2	59.846
C1	C3	H8	118.134	C1	C3	H9	118.134
C1	C4	H10	110.871	C1	C4	H13	110.871
C1	C4	H14	111.177	C1	C5	H11	110.871
C1	C5	H12	110.871	C1	C5	H15	111.177
C2	C1	C3	60.307	C2	C1	C4	117.827
C2	C1	C5	117.827	C2	C3	H8	117.744
C2	C3	H9	117.744	C3	C1	C4	117.827
C3	C1	C5	117.827	C3	C2	H6	117.744
C3	C2	H7	117.744	C4	C1	C5	114.651
H6	C2	H7	114.547	H8	C3	H9	114.547
H10	C4	H13	107.943	H10	C4	H14	107.921
H11	C5	H12	107.943	H11	C5	H15	107.921
H12	C5	H15	107.921	H13	C4	H14	107.921

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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