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	hartrees
Energy at 0K	-195.332554
Energy at 298.15K	-195.343295
Nuclear repulsion energy	184.255885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3041	6.76
2	A	3131	2995	32.36
3	A	3052	2920	28.76
4	A	1565	1498	4.24
5	A	1528	1462	5.38
6	A	1461	1397	0.91
7	A	1365	1306	1.44
8	A	1091	1044	2.50
9	A	1069	1023	25.08
10	A	947	906	11.79
11	A	683	653	1.89
12	A	340	326	0.01
13	A	3258	3117	0.00
14	A	3116	2981	0.00
15	A	1537	1471	0.00
16	A	1196	1144	0.00
17	A	1089	1042	0.00
18	A	913	873	0.00
19	A	333	319	0.00
20	A	215	205	0.00
21	A	3173	3036	14.56
22	A	3119	2984	48.45
23	A	1557	1489	8.67
24	A	1504	1439	7.83
25	A	1193	1141	12.08
26	A	1101	1053	1.62
27	A	856	819	4.71
28	A	379	363	2.46
29	A	238	227	0.04
30	A	3274	3132	14.69
31	A	3128	2993	13.80
32	A	3049	2917	28.48
33	A	1549	1482	7.07
34	A	1446	1384	15.98
35	A	1342	1284	2.41
36	A	1003	960	0.53
37	A	962	920	1.08
38	A	799	764	0.01
39	A	340	325	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.156
C2	0.762	0.000	-1.154
C3	-0.762	0.000	-1.154
C4	0.000	1.277	0.968
C5	0.000	-1.277	0.968
H6	1.265	0.915	-1.443
H7	1.265	-0.915	-1.443
H8	-1.265	-0.915	-1.443
H9	-1.265	0.915	-1.443
H10	-0.888	1.325	1.608
H11	-0.888	-1.325	1.608
H12	0.888	-1.325	1.608
H13	0.888	1.325	1.608
H14	0.000	2.154	0.314
H15	0.000	-2.154	0.314

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5157	1.5157	1.5130	1.5130	2.2350	2.2350	2.2350	2.2350	2.1566	2.1566	2.1566	2.1566	2.1602	2.1602
C2	1.5157		1.5246	2.5910	2.5910	1.0831	1.0831	2.2430	2.2430	3.4792	3.4792	3.0654	3.0654	2.7160	2.7160
C3	1.5157	1.5246		2.5910	2.5910	2.2430	2.2430	1.0831	1.0831	3.0654	3.0654	3.4792	3.4792	2.7160	2.7160
C4	1.5130	2.5910	2.5910		2.5535	2.7469	3.4952	3.4952	2.7469	1.0957	2.8226	2.8226	1.0957	1.0946	3.4930
C5	1.5130	2.5910	2.5910	2.5535		3.4952	2.7469	2.7469	3.4952	2.8226	1.0957	1.0957	2.8226	3.4930	1.0946
H6	2.2350	1.0831	2.2430	2.7469	3.4952		1.8290	3.1223	2.5305	3.7568	4.3543	3.8032	3.1012	2.4951	3.7558
H7	2.2350	1.0831	2.2430	3.4952	2.7469	1.8290		2.5305	3.1223	4.3543	3.7568	3.1012	3.8032	3.7558	2.4951
H8	2.2350	2.2430	1.0831	3.4952	2.7469	3.1223	2.5305		1.8290	3.8032	3.1012	3.7568	4.3543	3.7558	2.4951
H9	2.2350	2.2430	1.0831	2.7469	3.4952	2.5305	3.1223	1.8290		3.1012	3.8032	4.3543	3.7568	2.4951	3.7558
H10	2.1566	3.4792	3.0654	1.0957	2.8226	3.7568	4.3543	3.8032	3.1012		2.6499	3.1903	1.7765	1.7751	3.8169
H11	2.1566	3.4792	3.0654	2.8226	1.0957	4.3543	3.7568	3.1012	3.8032	2.6499		1.7765	3.1903	3.8169	1.7751
H12	2.1566	3.0654	3.4792	2.8226	1.0957	3.8032	3.1012	3.7568	4.3543	3.1903	1.7765		2.6499	3.8169	1.7751
H13	2.1566	3.0654	3.4792	1.0957	2.8226	3.1012	3.8032	4.3543	3.7568	1.7765	3.1903	2.6499		1.7751	3.8169
H14	2.1602	2.7160	2.7160	1.0946	3.4930	2.4951	3.7558	3.7558	2.4951	1.7751	3.8169	3.8169	1.7751		4.3088
H15	2.1602	2.7160	2.7160	3.4930	1.0946	3.7558	2.4951	2.4951	3.7558	3.8169	1.7751	1.7751	3.8169	4.3088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.804	C1	C2	H6	117.677
C1	C2	H7	117.677	C1	C3	C2	59.804
C1	C3	H8	117.677	C1	C3	H9	117.677
C1	C4	H10	110.507	C1	C4	H13	110.507
C1	C4	H14	110.854	C1	C5	H11	110.507
C1	C5	H12	110.507	C1	C5	H15	110.854
C2	C1	C3	60.392	C2	C1	C4	117.628
C2	C1	C5	117.628	C2	C3	H8	117.670
C2	C3	H9	117.670	C3	C1	C4	117.628
C3	C1	C5	117.628	C3	C2	H6	117.670
C3	C2	H7	117.670	C4	C1	C5	115.104
H6	C2	H7	115.211	H8	C3	H9	115.211
H10	C4	H13	108.332	H10	C4	H14	108.277
H11	C5	H12	108.332	H11	C5	H15	108.277
H12	C5	H15	108.277	H13	C4	H14	108.277

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

using model chemistry: B1B95/3-21G

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	-0.169
2	C	-0.387
3	C	-0.387
4	C	-0.568
5	C	-0.568
6	H	0.215
7	H	0.215
8	H	0.215
9	H	0.215
10	H	0.205
11	H	0.205
12	H	0.205
13	H	0.205
14	H	0.198
15	H	0.198

<r²>	122.513
(<r²>)^1/2	11.069

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

using model chemistry: B1B95/3-21G

States and conformations

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