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	hartrees
Energy at 0K	-196.549643
Energy at 298.15K	-196.560376
Nuclear repulsion energy	183.867953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	3018	14.57
2	A	3101	2990	40.24
3	A	3024	2916	52.25
4	A	1523	1468	0.11
5	A	1508	1454	6.91
6	A	1427	1376	0.02
7	A	1355	1306	1.98
8	A	1085	1046	0.17
9	A	1040	1003	12.21
10	A	944	910	12.99
11	A	685	661	1.93
12	A	352	339	0.07
13	A	3202	3088	0.00
14	A	3079	2969	0.00
15	A	1485	1432	0.00
16	A	1185	1142	0.00
17	A	1064	1026	0.00
18	A	899	867	0.00
19	A	330	318	0.00
20	A	212	205	0.00
21	A	3125	3013	30.22
22	A	3082	2972	71.52
23	A	1504	1451	7.37
24	A	1474	1421	4.76
25	A	1156	1114	3.82
26	A	1070	1032	1.15
27	A	849	818	7.04
28	A	395	380	1.03
29	A	239	231	0.00
30	A	3216	3100	29.43
31	A	3099	2988	21.88
32	A	3019	2911	42.15
33	A	1497	1443	5.53
34	A	1416	1365	7.49
35	A	1317	1270	1.20
36	A	972	937	0.33
37	A	949	915	0.20
38	A	792	763	0.00
39	A	361	348	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.759	0.000	-1.158
C3	-0.759	0.000	-1.158
C4	0.000	1.277	0.974
C5	0.000	-1.277	0.974
H6	1.268	0.912	-1.459
H7	1.268	-0.912	-1.459
H8	-1.268	-0.912	-1.459
H9	-1.268	0.912	-1.459
H10	-0.886	1.329	1.619
H11	-0.886	-1.329	1.619
H12	0.886	-1.329	1.619
H13	0.886	1.329	1.619
H14	0.000	2.167	0.334
H15	0.000	-2.167	0.334

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5125	1.5125	1.5198	1.5198	2.2424	2.2424	2.2424	2.2424	2.1699	2.1699	2.1699	2.1699	2.1743	2.1743
C2	1.5125		1.5174	2.5985	2.5985	1.0870	1.0870	2.2425	2.2425	3.4905	3.4905	3.0812	3.0812	2.7380	2.7380
C3	1.5125	1.5174		2.5985	2.5985	2.2425	2.2425	1.0870	1.0870	3.0812	3.0812	3.4905	3.4905	2.7380	2.7380
C4	1.5198	2.5985	2.5985		2.5548	2.7671	3.5097	3.5097	2.7671	1.0973	2.8279	2.8279	1.0973	1.0952	3.5028
C5	1.5198	2.5985	2.5985	2.5548		3.5097	2.7671	2.7671	3.5097	2.8279	1.0973	1.0973	2.8279	3.5028	1.0952
H6	2.2424	1.0870	2.2425	2.7671	3.5097		1.8246	3.1236	2.5353	3.7793	4.3743	3.8262	3.1287	2.5288	3.7816
H7	2.2424	1.0870	2.2425	3.5097	2.7671	1.8246		2.5353	3.1236	4.3743	3.7793	3.1287	3.8262	3.7816	2.5288
H8	2.2424	2.2425	1.0870	3.5097	2.7671	3.1236	2.5353		1.8246	3.8262	3.1287	3.7793	4.3743	3.7816	2.5288
H9	2.2424	2.2425	1.0870	2.7671	3.5097	2.5353	3.1236	1.8246		3.1287	3.8262	4.3743	3.7793	2.5288	3.7816
H10	2.1699	3.4905	3.0812	1.0973	2.8279	3.7793	4.3743	3.8262	3.1287		2.6588	3.1956	1.7727	1.7708	3.8284
H11	2.1699	3.4905	3.0812	2.8279	1.0973	4.3743	3.7793	3.1287	3.8262	2.6588		1.7727	3.1956	3.8284	1.7708
H12	2.1699	3.0812	3.4905	2.8279	1.0973	3.8262	3.1287	3.7793	4.3743	3.1956	1.7727		2.6588	3.8284	1.7708
H13	2.1699	3.0812	3.4905	1.0973	2.8279	3.1287	3.8262	4.3743	3.7793	1.7727	3.1956	2.6588		1.7708	3.8284
H14	2.1743	2.7380	2.7380	1.0952	3.5028	2.5288	3.7816	3.7816	2.5288	1.7708	3.8284	3.8284	1.7708		4.3331
H15	2.1743	2.7380	2.7380	3.5028	1.0952	3.7816	2.5288	2.5288	3.7816	3.8284	1.7708	1.7708	3.8284	4.3331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.894	C1	C2	H6	118.296
C1	C2	H7	118.296	C1	C3	C2	59.894
C1	C3	H8	118.296	C1	C3	H9	118.296
C1	C4	H10	110.990	C1	C4	H13	110.990
C1	C4	H14	111.474	C1	C5	H11	110.990
C1	C5	H12	110.990	C1	C5	H15	111.474
C2	C1	C3	60.212	C2	C1	C4	117.948
C2	C1	C5	117.948	C2	C3	H8	117.919
C2	C3	H9	117.919	C3	C1	C4	117.948
C3	C1	C5	117.948	C3	C2	H6	117.919
C3	C2	H7	117.919	C4	C1	C5	114.393
H6	C2	H7	114.122	H8	C3	H9	114.122
H10	C4	H13	107.750	H10	C4	H14	107.736
H11	C5	H12	107.750	H11	C5	H15	107.736
H12	C5	H15	107.736	H13	C4	H14	107.736

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

using model chemistry: B3LYP/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	ESP
1	C	0.342	0.421
2	C	-0.349	-0.327
3	C	-0.349	-0.319
4	C	-0.532	-0.534
5	C	-0.532	-0.534
6	H	0.142	0.119
7	H	0.142	0.119
8	H	0.142	0.117
9	H	0.142	0.117
10	H	0.145	0.130
11	H	0.145	0.130
12	H	0.145	0.131
13	H	0.136	0.131
14	H	0.136	0.150
15	H	0.145	0.150

	x	y	z	Total
	0.000	0.000	0.138	0.138
CHELPG
AIM
ESP	-0.002	0.000	0.123	0.123

<r²>	123.876
(<r²>)^1/2	11.130

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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