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	hartrees
Energy at 0K	-196.427672
Energy at 298.15K	-196.438400
Nuclear repulsion energy	184.833445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3016	12.21
2	A	3132	2996	40.38
3	A	3044	2912	46.23
4	A	1527	1460	0.26
5	A	1502	1437	8.35
6	A	1421	1359	0.14
7	A	1367	1308	1.17
8	A	1097	1050	0.08
9	A	1037	992	11.26
10	A	966	924	15.54
11	A	704	674	1.92
12	A	343	328	0.07
13	A	3230	3090	0.00
14	A	3113	2978	0.00
15	A	1477	1413	0.00
16	A	1180	1129	0.00
17	A	1058	1012	0.00
18	A	890	851	0.00
19	A	329	315	0.00
20	A	215	206	0.00
21	A	3148	3012	27.48
22	A	3114	2979	63.06
23	A	1497	1432	7.88
24	A	1463	1399	5.95
25	A	1154	1104	4.33
26	A	1065	1019	1.25
27	A	876	838	6.12
28	A	390	373	1.01
29	A	242	232	0.01
30	A	3243	3102	24.00
31	A	3130	2994	18.97
32	A	3040	2908	43.97
33	A	1491	1427	5.56
34	A	1411	1350	10.55
35	A	1325	1267	0.29
36	A	966	924	0.56
37	A	955	914	0.12
38	A	787	753	0.00
39	A	350	334	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.753	0.000	-1.150
C3	-0.753	0.000	-1.150
C4	0.000	1.271	0.967
C5	0.000	-1.271	0.967
H6	1.262	0.911	-1.448
H7	1.262	-0.911	-1.448
H8	-1.262	-0.911	-1.448
H9	-1.262	0.911	-1.448
H10	-0.885	1.325	1.610
H11	-0.885	-1.325	1.610
H12	0.885	-1.325	1.610
H13	0.885	1.325	1.610
H14	0.000	2.156	0.324
H15	0.000	-2.156	0.324

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5031	1.5031	1.5107	1.5107	2.2311	2.2311	2.2311	2.2311	2.1604	2.1604	2.1604	2.1604	2.1626	2.1626
C2	1.5031		1.5065	2.5815	2.5815	1.0853	1.0853	2.2313	2.2313	3.4720	3.4720	3.0641	3.0641	2.7178	2.7178
C3	1.5031	1.5065		2.5815	2.5815	2.2313	2.2313	1.0853	1.0853	3.0641	3.0641	3.4720	3.4720	2.7178	2.7178
C4	1.5107	2.5815	2.5815		2.5427	2.7480	3.4909	3.4909	2.7480	1.0951	2.8175	2.8175	1.0951	1.0934	3.4868
C5	1.5107	2.5815	2.5815	2.5427		3.4909	2.7480	2.7480	3.4909	2.8175	1.0951	1.0951	2.8175	3.4868	1.0934
H6	2.2311	1.0853	2.2313	2.7480	3.4909		1.8229	3.1127	2.5231	3.7585	4.3540	3.8068	3.1082	2.5056	3.7600
H7	2.2311	1.0853	2.2313	3.4909	2.7480	1.8229		2.5231	3.1127	4.3540	3.7585	3.1082	3.8068	3.7600	2.5056
H8	2.2311	2.2313	1.0853	3.4909	2.7480	3.1127	2.5231		1.8229	3.8068	3.1082	3.7585	4.3540	3.7600	2.5056
H9	2.2311	2.2313	1.0853	2.7480	3.4909	2.5231	3.1127	1.8229		3.1082	3.8068	4.3540	3.7585	2.5056	3.7600
H10	2.1604	3.4720	3.0641	1.0951	2.8175	3.7585	4.3540	3.8068	3.1082		2.6502	3.1869	1.7699	1.7681	3.8148
H11	2.1604	3.4720	3.0641	2.8175	1.0951	4.3540	3.7585	3.1082	3.8068	2.6502		1.7699	3.1869	3.8148	1.7681
H12	2.1604	3.0641	3.4720	2.8175	1.0951	3.8068	3.1082	3.7585	4.3540	3.1869	1.7699		2.6502	3.8148	1.7681
H13	2.1604	3.0641	3.4720	1.0951	2.8175	3.1082	3.8068	4.3540	3.7585	1.7699	3.1869	2.6502		1.7681	3.8148
H14	2.1626	2.7178	2.7178	1.0934	3.4868	2.5056	3.7600	3.7600	2.5056	1.7681	3.8148	3.8148	1.7681		4.3114
H15	2.1626	2.7178	2.7178	3.4868	1.0934	3.7600	2.5056	2.5056	3.7600	3.8148	1.7681	1.7681	3.8148	4.3114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.925	C1	C2	H6	118.178
C1	C2	H7	118.178	C1	C3	C2	59.925
C1	C3	H8	118.178	C1	C3	H9	118.178
C1	C4	H10	111.001	C1	C4	H13	111.001
C1	C4	H14	111.285	C1	C5	H11	111.001
C1	C5	H12	111.001	C1	C5	H15	111.285
C2	C1	C3	60.151	C2	C1	C4	117.867
C2	C1	C5	117.867	C2	C3	H8	117.926
C2	C3	H9	117.926	C3	C1	C4	117.867
C3	C1	C5	117.867	C3	C2	H6	117.926
C3	C2	H7	117.926	C4	C1	C5	114.613
H6	C2	H7	114.246	H8	C3	H9	114.246
H10	C4	H13	107.820	H10	C4	H14	107.788
H11	C5	H12	107.820	H11	C5	H15	107.788
H12	C5	H15	107.788	H13	C4	H14	107.788

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

using model chemistry: B1B95/6-31+G**

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	0.271
2	C	-0.359
3	C	-0.359
4	C	-0.550
5	C	-0.550
6	H	0.157
7	H	0.157
8	H	0.157
9	H	0.157
10	H	0.157
11	H	0.157
12	H	0.157
13	H	0.157
14	H	0.146
15	H	0.146

<r²>	122.468
(<r²>)^1/2	11.067

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

using model chemistry: B1B95/6-31+G**

States and conformations

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