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	hartrees
Energy at 0K	-194.510540
Energy at 298.15K	-194.521431
HF Energy	-194.044008
Nuclear repulsion energy	183.102317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3046	6.58
2	A	3145	3002	33.00
3	A	3069	2930	22.27
4	A	1607	1535	3.45
5	A	1572	1501	2.27
6	A	1499	1432	0.05
7	A	1366	1304	0.82
8	A	1127	1076	20.41
9	A	1093	1043	0.33
10	A	927	885	10.14
11	A	665	635	1.75
12	A	363	346	0.00
13	A	3271	3123	0.00
14	A	3136	2994	0.00
15	A	1585	1513	0.00
16	A	1226	1171	0.00
17	A	1123	1072	0.00
18	A	947	905	0.00
19	A	343	327	0.00
20	A	230	220	0.00
21	A	3184	3040	12.39
22	A	3139	2997	48.29
23	A	1600	1528	5.96
24	A	1554	1484	3.76
25	A	1232	1177	7.17
26	A	1138	1087	1.24
27	A	837	799	5.56
28	A	398	380	1.97
29	A	247	235	0.03
30	A	3286	3137	15.82
31	A	3142	3000	12.52
32	A	3066	2928	25.42
33	A	1597	1524	5.16
34	A	1485	1418	8.49
35	A	1352	1291	1.93
36	A	1032	986	0.27
37	A	968	925	1.05
38	A	821	784	0.02
39	A	363	347	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.156
C2	0.770	0.000	-1.164
C3	-0.770	0.000	-1.164
C4	0.000	1.284	0.978
C5	0.000	-1.284	0.978
H6	1.274	0.915	-1.455
H7	1.274	-0.915	-1.455
H8	-1.274	-0.915	-1.455
H9	-1.274	0.915	-1.455
H10	-0.891	1.327	1.617
H11	-0.891	-1.327	1.617
H12	0.891	-1.327	1.617
H13	0.891	1.327	1.617
H14	0.000	2.163	0.323
H15	0.000	-2.163	0.323

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5282	1.5282	1.5244	1.5244	2.2486	2.2486	2.2486	2.2486	2.1651	2.1651	2.1651	2.1651	2.1696	2.1696
C2	1.5282		1.5392	2.6131	2.6131	1.0844	1.0844	2.2581	2.2581	3.5000	3.5000	3.0836	3.0836	2.7353	2.7353
C3	1.5282	1.5392		2.6131	2.6131	2.2581	2.2581	1.0844	1.0844	3.0836	3.0836	3.5000	3.5000	2.7353	2.7353
C4	1.5244	2.6131	2.6131		2.5683	2.7709	3.5180	3.5180	2.7709	1.0968	2.8323	2.8323	1.0968	1.0963	3.5090
C5	1.5244	2.6131	2.6131	2.5683		3.5180	2.7709	2.7709	3.5180	2.8323	1.0968	1.0968	2.8323	3.5090	1.0963
H6	2.2486	1.0844	2.2581	2.7709	3.5180		1.8293	3.1373	2.5488	3.7803	4.3758	3.8220	3.1227	2.5184	3.7757
H7	2.2486	1.0844	2.2581	3.5180	2.7709	1.8293		2.5488	3.1373	4.3758	3.7803	3.1227	3.8220	3.7757	2.5184
H8	2.2486	2.2581	1.0844	3.5180	2.7709	3.1373	2.5488		1.8293	3.8220	3.1227	3.7803	4.3758	3.7757	2.5184
H9	2.2486	2.2581	1.0844	2.7709	3.5180	2.5488	3.1373	1.8293		3.1227	3.8220	4.3758	3.7803	2.5184	3.7757
H10	2.1651	3.5000	3.0836	1.0968	2.8323	3.7803	4.3758	3.8220	3.1227		2.6549	3.1970	1.7811	1.7793	3.8278
H11	2.1651	3.5000	3.0836	2.8323	1.0968	4.3758	3.7803	3.1227	3.8220	2.6549		1.7811	3.1970	3.8278	1.7793
H12	2.1651	3.0836	3.5000	2.8323	1.0968	3.8220	3.1227	3.7803	4.3758	3.1970	1.7811		2.6549	3.8278	1.7793
H13	2.1651	3.0836	3.5000	1.0968	2.8323	3.1227	3.8220	4.3758	3.7803	1.7811	3.1970	2.6549		1.7793	3.8278
H14	2.1696	2.7353	2.7353	1.0963	3.5090	2.5184	3.7757	3.7757	2.5184	1.7793	3.8278	3.8278	1.7793		4.3263
H15	2.1696	2.7353	2.7353	3.5090	1.0963	3.7757	2.5184	2.5184	3.7757	3.8278	1.7793	1.7793	3.8278	4.3263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.761	C1	C2	H6	117.781
C1	C2	H7	117.781	C1	C3	C2	59.761
C1	C3	H8	117.781	C1	C3	H9	117.781
C1	C4	H10	110.311	C1	C4	H13	110.311
C1	C4	H14	110.697	C1	C5	H11	110.311
C1	C5	H12	110.311	C1	C5	H15	110.697
C2	C1	C3	60.477	C2	C1	C4	117.746
C2	C1	C5	117.746	C2	C3	H8	117.743
C2	C3	H9	117.743	C3	C1	C4	117.746
C3	C1	C5	117.746	C3	C2	H6	117.743
C3	C2	H7	117.743	C4	C1	C5	114.787
H6	C2	H7	115.011	H8	C3	H9	115.011
H10	C4	H13	108.569	H10	C4	H14	108.444
H11	C5	H12	108.569	H11	C5	H15	108.444
H12	C5	H15	108.444	H13	C4	H14	108.444

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H10 (Cyclopropane, 1,1-dimethyl-)

using model chemistry: MP2=FULL/3-21G

States and conformations

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