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	hartrees
Energy at 0K	-195.514637
Energy at 298.15K	-195.525566
HF Energy	-195.047476
Nuclear repulsion energy	182.787682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3011	9.42
2	A	3130	2974	44.11
3	A	3042	2890	31.57
4	A	1583	1504	2.58
5	A	1567	1488	2.79
6	A	1491	1416	0.00
7	A	1397	1327	0.44
8	A	1145	1088	14.75
9	A	1112	1057	0.55
10	A	964	916	12.42
11	A	690	656	1.94
12	A	368	350	0.01
13	A	3248	3086	0.00
14	A	3119	2963	0.00
15	A	1558	1480	0.00
16	A	1236	1175	0.00
17	A	1115	1060	0.00
18	A	952	905	0.00
19	A	339	322	0.00
20	A	223	212	0.00
21	A	3162	3004	18.40
22	A	3122	2966	66.15
23	A	1573	1494	5.25
24	A	1544	1467	3.91
25	A	1231	1170	6.19
26	A	1149	1092	0.80
27	A	857	815	7.64
28	A	414	393	1.40
29	A	245	232	0.00
30	A	3263	3101	28.47
31	A	3127	2971	17.54
32	A	3039	2887	35.96
33	A	1572	1494	4.87
34	A	1476	1402	7.87
35	A	1365	1297	1.43
36	A	1018	967	0.34
37	A	983	934	0.62
38	A	830	788	0.06
39	A	376	357	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.155
C2	0.766	0.000	-1.168
C3	-0.766	0.000	-1.168
C4	0.000	1.282	0.982
C5	0.000	-1.282	0.982
H6	1.281	0.913	-1.465
H7	1.281	-0.913	-1.465
H8	-1.281	-0.913	-1.465
H9	-1.281	0.913	-1.465
H10	-0.892	1.330	1.626
H11	-0.892	-1.330	1.626
H12	0.892	-1.330	1.626
H13	0.892	1.330	1.626
H14	0.000	2.169	0.331
H15	0.000	-2.169	0.331

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5286	1.5286	1.5262	1.5262	2.2576	2.2576	2.2576	2.2576	2.1748	2.1748	2.1748	2.1748	2.1760	2.1760
C2	1.5286		1.5324	2.6181	2.6181	1.0890	1.0890	2.2609	2.2609	3.5106	3.5106	3.0971	3.0971	2.7454	2.7454
C3	1.5286	1.5324		2.6181	2.6181	2.2609	2.2609	1.0890	1.0890	3.0971	3.0971	3.5106	3.5106	2.7454	2.7454
C4	1.5262	2.6181	2.6181		2.5648	2.7867	3.5279	3.5279	2.7867	1.1008	2.8349	2.8349	1.1008	1.1000	3.5121
C5	1.5262	2.6181	2.6181	2.5648		3.5279	2.7867	2.7867	3.5279	2.8349	1.1008	1.1008	2.8349	3.5121	1.1000
H6	2.2576	1.0890	2.2609	2.7867	3.5279		1.8251	3.1455	2.5619	3.8011	4.3937	3.8387	3.1431	2.5384	3.7895
H7	2.2576	1.0890	2.2609	3.5279	2.7867	1.8251		2.5619	3.1455	4.3937	3.8011	3.1431	3.8387	3.7895	2.5384
H8	2.2576	2.2609	1.0890	3.5279	2.7867	3.1455	2.5619		1.8251	3.8387	3.1431	3.8011	4.3937	3.7895	2.5384
H9	2.2576	2.2609	1.0890	2.7867	3.5279	2.5619	3.1455	1.8251		3.1431	3.8387	4.3937	3.8011	2.5384	3.7895
H10	2.1748	3.5106	3.0971	1.1008	2.8349	3.8011	4.3937	3.8387	3.1431		2.6609	3.2033	1.7833	1.7819	3.8363
H11	2.1748	3.5106	3.0971	2.8349	1.1008	4.3937	3.8011	3.1431	3.8387	2.6609		1.7833	3.2033	3.8363	1.7819
H12	2.1748	3.0971	3.5106	2.8349	1.1008	3.8387	3.1431	3.8011	4.3937	3.2033	1.7833		2.6609	3.8363	1.7819
H13	2.1748	3.0971	3.5106	1.1008	2.8349	3.1431	3.8387	4.3937	3.8011	1.7833	3.2033	2.6609		1.7819	3.8363
H14	2.1760	2.7454	2.7454	1.1000	3.5121	2.5384	3.7895	3.7895	2.5384	1.7819	3.8363	3.8363	1.7819		4.3377
H15	2.1760	2.7454	2.7454	3.5121	1.1000	3.7895	2.5384	2.5384	3.7895	3.8363	1.7819	1.7819	3.8363	4.3377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.916	C1	C2	H6	118.221
C1	C2	H7	118.221	C1	C3	C2	59.916
C1	C3	H8	118.221	C1	C3	H9	118.221
C1	C4	H10	110.719	C1	C4	H13	110.719
C1	C4	H14	110.861	C1	C5	H11	110.719
C1	C5	H12	110.719	C1	C5	H15	110.861
C2	C1	C3	60.167	C2	C1	C4	117.978
C2	C1	C5	117.978	C2	C3	H8	118.210
C2	C3	H9	118.210	C3	C1	C4	117.978
C3	C1	C5	117.978	C3	C2	H6	118.210
C3	C2	H7	118.210	C4	C1	C5	114.337
H6	C2	H7	113.855	H8	C3	H9	113.855
H10	C4	H13	108.187	H10	C4	H14	108.125
H11	C5	H12	108.187	H11	C5	H15	108.125
H12	C5	H15	108.125	H13	C4	H14	108.125

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

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

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