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	hartrees
Energy at 0K	-196.492329
Energy at 298.15K	-196.502984
Nuclear repulsion energy	182.508082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3128	44.17
2	A	3236	3111	0.00
3	A	3153	3031	14.03
4	A	3142	3020	35.96
5	A	3122	3002	57.04
6	A	3118	2997	25.48
7	A	3107	2987	89.71
8	A	3102	2982	0.00
9	A	3026	2909	46.86
10	A	3021	2904	42.56
11	A	1531	1472	0.74
12	A	1523	1464	11.39
13	A	1516	1458	11.03
14	A	1514	1456	7.26
15	A	1507	1448	0.00
16	A	1488	1430	10.27
17	A	1443	1387	2.36
18	A	1431	1376	20.00
19	A	1371	1318	2.90
20	A	1334	1283	3.02
21	A	1185	1139	0.00
22	A	1173	1128	17.64
23	A	1097	1055	1.86
24	A	1082	1040	2.54
25	A	1067	1026	0.00
26	A	1058	1017	20.75
27	A	981	943	1.31
28	A	954	917	1.38
29	A	940	904	16.53
30	A	905	870	0.00
31	A	830	798	8.87
32	A	796	766	0.59
33	A	674	648	2.53
34	A	397	382	2.71
35	A	356	342	0.29
36	A	351	337	0.01
37	A	324	311	0.00
38	A	225	216	0.04
39	A	189	182	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.154	-0.000	-0.000
C2	-1.171	-0.000	0.770
C3	-1.171	-0.000	-0.770
C4	0.985	-1.282	-0.000
C5	0.984	1.282	0.000
H6	-1.474	-0.912	1.279
H7	-1.474	0.911	1.280
H8	-1.474	0.912	-1.279
H9	-1.474	-0.911	-1.280
H10	1.632	-1.329	-0.888
H11	1.629	1.331	-0.889
H12	1.629	-1.330	0.889
H13	0.348	-2.176	-0.002
H14	0.347	2.176	0.001
H15	1.631	1.330	0.888

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5331	1.5331	1.5272	1.5273	2.2625	2.2626	2.2625	2.2626	2.1765	2.1765	2.1764	2.1844	2.1844	2.1765
C2	1.5331		1.5406	2.6237	2.6237	1.0871	1.0871	2.2636	2.2636	3.5173	3.5168	3.1027	2.7634	2.7625	3.1041
C3	1.5331	1.5406		2.6238	2.6235	2.2635	2.2636	1.0871	1.0871	3.1044	3.1028	3.5168	2.7627	2.7630	3.5171
C4	1.5272	2.6237	2.6238		2.5639	2.7961	3.5344	3.5345	2.7964	1.0995	2.8340	1.0995	1.0978	3.5160	2.8330
C5	1.5273	2.6237	2.6235	2.5639		3.5345	2.7962	2.7958	3.5344	2.8328	1.0995	2.8341	3.5161	1.0978	1.0995
H6	2.2625	1.0871	2.2635	2.7961	3.5345		1.8231	3.1418	2.5588	3.8098	4.4001	3.1556	2.5605	3.8057	3.8496
H7	2.2626	1.0871	2.2636	3.5344	2.7962	1.8231		2.5589	3.1419	4.4002	3.8093	3.8482	3.8066	2.5593	3.1577
H8	2.2625	2.2636	1.0871	3.5345	2.7958	3.1418	2.5589		1.8231	3.8496	3.1556	4.4001	3.8057	2.5600	3.8095
H9	2.2626	2.2636	1.0871	2.7964	3.5344	2.5588	3.1419	1.8231		3.1582	3.8484	3.8094	2.5594	3.8063	4.4002
H10	2.1765	3.5173	3.1044	1.0995	2.8328	3.8098	4.4002	3.8496	3.1582		2.6598	1.7770	1.7752	3.8374	3.1970
H11	2.1765	3.5168	3.1028	2.8340	1.0995	4.4001	3.8093	3.1556	3.8484	2.6598		3.2008	3.8376	1.7753	1.7770
H12	2.1764	3.1027	3.5168	1.0995	2.8341	3.1556	3.8482	4.4001	3.8094	1.7770	3.2008		1.7753	3.8377	2.6601
H13	2.1844	2.7634	2.7627	1.0978	3.5161	2.5605	3.8066	3.8057	2.5594	1.7752	3.8376	1.7753		4.3518	3.8376
H14	2.1844	2.7625	2.7630	3.5160	1.0978	3.8057	2.5593	2.5600	3.8063	3.8374	1.7753	3.8377	4.3518		1.7752
H15	2.1765	3.1041	3.5171	2.8330	1.0995	3.8496	3.1577	3.8095	4.4002	3.1970	1.7770	2.6601	3.8376	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.838	C1	C2	H6	118.430
C1	C2	H7	118.438	C1	C3	C2	59.839
C1	C3	H8	118.427	C1	C3	H9	118.439
C1	C4	H10	110.856	C1	C4	H13	111.593
C1	C4	H14	22.485	C1	C5	H11	110.852
C1	C5	H12	49.450	C1	C5	H15	110.855
C2	C1	C3	60.323	C2	C1	C4	118.033
C2	C1	C5	118.032	C2	C3	H8	117.926
C2	C3	H9	117.928	C3	C1	C4	118.043
C3	C1	C5	118.022	C3	C2	H6	117.922
C3	C2	H7	117.931	C4	C1	C5	114.147
H6	C2	H7	113.963	H8	C3	H9	113.963
H10	C4	H13	107.782	H10	C4	H14	98.584
H11	C5	H12	99.269	H11	C5	H15	107.817
H12	C5	H15	69.669	H13	C4	H14	134.078

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

using model chemistry: B3LYP/SDD

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	0.361
2	C	-0.503
3	C	-0.503
4	C	-0.686
5	C	-0.686
6	H	0.211
7	H	0.211
8	H	0.211
9	H	0.211
10	H	0.196
11	H	0.196
12	H	0.196
13	H	0.195
14	H	0.195
15	H	0.196

	x	y	z
x	8.078	0.001	0.003
y	0.001	7.338	0.001
z	0.003	0.001	7.260

<r²>	124.771
(<r²>)^1/2	11.170

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

using model chemistry: B3LYP/SDD

States and conformations

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