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	hartrees
Energy at 0K	-195.202411
Energy at 298.15K	-195.213563
Nuclear repulsion energy	185.451053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3262	2970	15.10
2	A	3214	2926	51.22
3	A	3148	2866	54.35
4	A	1647	1500	1.03
5	A	1622	1477	5.56
6	A	1549	1410	0.00
7	A	1458	1327	1.78
8	A	1171	1066	1.03
9	A	1149	1046	4.01
10	A	1008	918	15.72
11	A	725	660	2.44
12	A	375	342	0.08
13	A	3325	3027	0.00
14	A	3190	2904	0.00
15	A	1599	1456	0.00
16	A	1285	1170	0.00
17	A	1155	1052	0.00
18	A	974	886	0.00
19	A	356	324	0.00
20	A	232	211	0.00
21	A	3253	2962	34.95
22	A	3195	2909	90.89
23	A	1618	1473	5.24
24	A	1590	1448	4.19
25	A	1260	1147	4.54
26	A	1193	1086	0.10
27	A	919	837	11.17
28	A	427	389	0.89
29	A	264	241	0.00
30	A	3341	3042	39.86
31	A	3211	2923	28.37
32	A	3142	2860	36.88
33	A	1610	1466	3.83
34	A	1539	1401	5.52
35	A	1420	1293	1.03
36	A	1052	958	0.39
37	A	1013	922	0.17
38	A	845	769	0.01
39	A	385	351	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.146
C2	0.752	0.000	-1.147
C3	-0.752	0.000	-1.147
C4	0.000	1.271	0.966
C5	0.000	-1.271	0.966
H6	1.255	0.901	-1.446
H7	1.255	-0.901	-1.446
H8	-1.255	-0.901	-1.446
H9	-1.255	0.901	-1.446
H10	-0.877	1.321	1.604
H11	-0.877	-1.321	1.604
H12	0.877	-1.321	1.604
H13	0.877	1.321	1.604
H14	0.000	2.150	0.333
H15	0.000	-2.150	0.333

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4958	1.4958	1.5129	1.5129	2.2176	2.2176	2.2176	2.2176	2.1541	2.1541	2.1541	2.1541	2.1585	2.1585
C2	1.4958		1.5036	2.5785	2.5785	1.0741	1.0741	2.2196	2.2196	3.4594	3.4594	3.0545	3.0545	2.7169	2.7169
C3	1.4958	1.5036		2.5785	2.5785	2.2196	2.2196	1.0741	1.0741	3.0545	3.0545	3.4594	3.4594	2.7169	2.7169
C4	1.5129	2.5785	2.5785		2.5421	2.7436	3.4798	3.4798	2.7436	1.0856	2.8094	2.8094	1.0856	1.0835	3.4794
C5	1.5129	2.5785	2.5785	2.5421		3.4798	2.7436	2.7436	3.4798	2.8094	1.0856	1.0856	2.8094	3.4794	1.0835
H6	2.2176	1.0741	2.2196	2.7436	3.4798		1.8023	3.0894	2.5092	3.7443	4.3336	3.7919	3.1013	2.5096	3.7482
H7	2.2176	1.0741	2.2196	3.4798	2.7436	1.8023		2.5092	3.0894	4.3336	3.7443	3.1013	3.7919	3.7482	2.5096
H8	2.2176	2.2196	1.0741	3.4798	2.7436	3.0894	2.5092		1.8023	3.7919	3.1013	3.7443	4.3336	3.7482	2.5096
H9	2.2176	2.2196	1.0741	2.7436	3.4798	2.5092	3.0894	1.8023		3.1013	3.7919	4.3336	3.7443	2.5096	3.7482
H10	2.1541	3.4594	3.0545	1.0856	2.8094	3.7443	4.3336	3.7919	3.1013		2.6413	3.1708	1.7543	1.7529	3.7989
H11	2.1541	3.4594	3.0545	2.8094	1.0856	4.3336	3.7443	3.1013	3.7919	2.6413		1.7543	3.1708	3.7989	1.7529
H12	2.1541	3.0545	3.4594	2.8094	1.0856	3.7919	3.1013	3.7443	4.3336	3.1708	1.7543		2.6413	3.7989	1.7529
H13	2.1541	3.0545	3.4594	1.0856	2.8094	3.1013	3.7919	4.3336	3.7443	1.7543	3.1708	2.6413		1.7529	3.7989
H14	2.1585	2.7169	2.7169	1.0835	3.4794	2.5096	3.7482	3.7482	2.5096	1.7529	3.7989	3.7989	1.7529		4.3006
H15	2.1585	2.7169	2.7169	3.4794	1.0835	3.7482	2.5096	2.5096	3.7482	3.7989	1.7529	1.7529	3.7989	4.3006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.827	C1	C2	H6	118.372
C1	C2	H7	118.372	C1	C3	C2	59.827
C1	C3	H8	118.372	C1	C3	H9	118.372
C1	C4	H10	110.916	C1	C4	H13	110.916
C1	C4	H14	111.398	C1	C5	H11	110.916
C1	C5	H12	110.916	C1	C5	H15	111.398
C2	C1	C3	60.347	C2	C1	C4	117.964
C2	C1	C5	117.964	C2	C3	H8	117.910
C2	C3	H9	117.910	C3	C1	C4	117.964
C3	C1	C5	117.964	C3	C2	H6	117.910
C3	C2	H7	117.910	C4	C1	C5	114.305
H6	C2	H7	114.064	H8	C3	H9	114.064
H10	C4	H13	107.802	H10	C4	H14	107.827
H11	C5	H12	107.802	H11	C5	H15	107.827
H12	C5	H15	107.827	H13	C4	H14	107.827

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

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	C	1.213
2	C	-1.158
3	C	-1.158
4	C	-0.896
5	C	-0.896
6	H	0.332
7	H	0.332
8	H	0.332
9	H	0.332
10	H	0.247
11	H	0.247
12	H	0.247
13	H	0.247
14	H	0.289
15	H	0.289

<r²>	122.045
(<r²>)^1/2	11.047

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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