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	hartrees
Energy at 0K	-194.362746
Energy at 298.15K	-194.373418
Nuclear repulsion energy	184.563527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3091	3041	3.66
2	A	3053	3003	23.56
3	A	2967	2918	23.55
4	A	1509	1484	4.28
5	A	1470	1446	9.57
6	A	1401	1378	3.54
7	A	1347	1325	0.84
8	A	1071	1053	2.00
9	A	1020	1003	38.03
10	A	947	931	10.44
11	A	689	677	1.65
12	A	338	333	0.04
13	A	3173	3121	0.00
14	A	3038	2988	0.00
15	A	1472	1448	0.00
16	A	1156	1137	0.00
17	A	1052	1035	0.00
18	A	880	865	0.00
19	A	327	322	0.00
20	A	224	220	0.00
21	A	3086	3036	8.28
22	A	3039	2990	33.47
23	A	1494	1470	11.78
24	A	1445	1421	14.01
25	A	1159	1140	15.11
26	A	1051	1033	1.92
27	A	848	834	2.87
28	A	370	364	2.66
29	A	246	241	0.09
30	A	3188	3136	7.25
31	A	3050	3000	8.36
32	A	2964	2915	22.47
33	A	1488	1464	8.45
34	A	1387	1365	29.93
35	A	1328	1306	0.95
36	A	971	955	1.43
37	A	950	935	0.98
38	A	779	766	0.11
39	A	338	332	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.157
C2	0.760	0.000	-1.149
C3	-0.760	0.000	-1.149
C4	0.000	1.266	0.963
C5	0.000	-1.266	0.963
H6	1.270	0.924	-1.437
H7	1.270	-0.924	-1.437
H8	-1.270	-0.924	-1.437
H9	-1.270	0.924	-1.437
H10	-0.896	1.315	1.610
H11	-0.896	-1.315	1.610
H12	0.896	-1.315	1.610
H13	0.896	1.315	1.610
H14	0.000	2.154	0.304
H15	0.000	-2.154	0.304

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5110	1.5110	1.5007	1.5007	2.2376	2.2376	2.2376	2.2376	2.1555	2.1555	2.1555	2.1555	2.1587	2.1587
C2	1.5110		1.5196	2.5770	2.5770	1.0938	1.0938	2.2485	2.2485	3.4768	3.4768	3.0601	3.0601	2.7069	2.7069
C3	1.5110	1.5196		2.5770	2.5770	2.2485	2.2485	1.0938	1.0938	3.0601	3.0601	3.4768	3.4768	2.7069	2.7069
C4	1.5007	2.5770	2.5770		2.5317	2.7367	3.4881	3.4881	2.7367	1.1068	2.8079	2.8079	1.1068	1.1056	3.4824
C5	1.5007	2.5770	2.5770	2.5317		3.4881	2.7367	2.7367	3.4881	2.8079	1.1068	1.1068	2.8079	3.4824	1.1056
H6	2.2376	1.0938	2.2485	2.7367	3.4881		1.8475	3.1406	2.5397	3.7594	4.3581	3.8001	3.0953	2.4813	3.7569
H7	2.2376	1.0938	2.2485	3.4881	2.7367	1.8475		2.5397	3.1406	4.3581	3.7594	3.0953	3.8001	3.7569	2.4813
H8	2.2376	2.2485	1.0938	3.4881	2.7367	3.1406	2.5397		1.8475	3.8001	3.0953	3.7594	4.3581	3.7569	2.4813
H9	2.2376	2.2485	1.0938	2.7367	3.4881	2.5397	3.1406	1.8475		3.0953	3.8001	4.3581	3.7594	2.4813	3.7569
H10	2.1555	3.4768	3.0601	1.1068	2.8079	3.7594	4.3581	3.8001	3.0953		2.6305	3.1831	1.7923	1.7925	3.8136
H11	2.1555	3.4768	3.0601	2.8079	1.1068	4.3581	3.7594	3.0953	3.8001	2.6305		1.7923	3.1831	3.8136	1.7925
H12	2.1555	3.0601	3.4768	2.8079	1.1068	3.8001	3.0953	3.7594	4.3581	3.1831	1.7923		2.6305	3.8136	1.7925
H13	2.1555	3.0601	3.4768	1.1068	2.8079	3.0953	3.8001	4.3581	3.7594	1.7923	3.1831	2.6305		1.7925	3.8136
H14	2.1587	2.7069	2.7069	1.1056	3.4824	2.4813	3.7569	3.7569	2.4813	1.7925	3.8136	3.8136	1.7925		4.3073
H15	2.1587	2.7069	2.7069	3.4824	1.1056	3.7569	2.4813	2.4813	3.7569	3.8136	1.7925	1.7925	3.8136	4.3073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.812	C1	C2	H6	117.517
C1	C2	H7	117.517	C1	C3	C2	59.812
C1	C3	H8	117.517	C1	C3	H9	117.517
C1	C4	H10	110.605	C1	C4	H13	110.605
C1	C4	H14	110.931	C1	C5	H11	110.605
C1	C5	H12	110.605	C1	C5	H15	110.931
C2	C1	C3	60.375	C2	C1	C4	117.663
C2	C1	C5	117.663	C2	C3	H8	117.795
C2	C3	H9	117.795	C3	C1	C4	117.663
C3	C1	C5	117.663	C3	C2	H6	117.795
C3	C2	H7	117.795	C4	C1	C5	115.025
H6	C2	H7	115.247	H8	C3	H9	115.247
H10	C4	H13	108.139	H10	C4	H14	108.231
H11	C5	H12	108.139	H11	C5	H15	108.231
H12	C5	H15	108.231	H13	C4	H14	108.231

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

using model chemistry: LSDA/3-21G

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	-0.114
2	C	-0.395
3	C	-0.395
4	C	-0.607
5	C	-0.607
6	H	0.215
7	H	0.215
8	H	0.215
9	H	0.215
10	H	0.212
11	H	0.212
12	H	0.212
13	H	0.212
14	H	0.204
15	H	0.204

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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