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	hartrees
Energy at 0K	-195.874692
Energy at 298.15K	-195.885508
HF Energy	-195.145860
Nuclear repulsion energy	183.866764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3026	16.49
2	A	3177	3019	23.67
3	A	3071	2919	32.94
4	A	1531	1455	0.10
5	A	1499	1425	6.54
6	A	1423	1352	0.02
7	A	1373	1305	0.88
8	A	1098	1043	0.20
9	A	1037	986	9.15
10	A	974	925	11.38
11	A	705	670	1.41
12	A	348	331	0.03
13	A	3276	3113	0.00
14	A	3161	3005	0.00
15	A	1478	1405	0.00
16	A	1184	1125	0.00
17	A	1064	1011	0.00
18	A	892	848	0.00
19	A	334	317	0.00
20	A	228	216	0.00
21	A	3177	3020	13.66
22	A	3163	3006	48.16
23	A	1497	1423	6.62
24	A	1458	1386	3.84
25	A	1162	1104	4.29
26	A	1060	1008	0.73
27	A	883	839	5.52
28	A	391	371	0.91
29	A	257	244	0.01
30	A	3288	3125	15.26
31	A	3176	3018	12.16
32	A	3068	2916	32.28
33	A	1491	1418	4.00
34	A	1418	1347	6.34
35	A	1339	1272	0.19
36	A	979	930	0.81
37	A	962	914	0.00
38	A	788	749	0.04
39	A	354	336	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.154
C2	0.761	0.000	-1.154
C3	-0.761	0.000	-1.154
C4	0.000	1.276	0.969
C5	0.000	-1.276	0.969
H6	1.268	0.922	-1.452
H7	1.268	-0.922	-1.452
H8	-1.268	-0.922	-1.452
H9	-1.268	0.922	-1.452
H10	-0.893	1.330	1.616
H11	-0.893	-1.330	1.616
H12	0.893	-1.330	1.616
H13	0.893	1.330	1.616
H14	0.000	2.165	0.317
H15	0.000	-2.165	0.317

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5130	1.5130	1.5144	1.5144	2.2439	2.2439	2.2439	2.2439	2.1686	2.1686	2.1686	2.1686	2.1707	2.1707
C2	1.5130		1.5211	2.5914	2.5914	1.0934	1.0934	2.2477	2.2477	3.4892	3.4892	3.0755	3.0755	2.7254	2.7254
C3	1.5130	1.5211		2.5914	2.5914	2.2477	2.2477	1.0934	1.0934	3.0755	3.0755	3.4892	3.4892	2.7254	2.7254
C4	1.5144	2.5914	2.5914		2.5524	2.7557	3.5070	3.5070	2.7557	1.1037	2.8295	2.8295	1.1037	1.1020	3.5020
C5	1.5144	2.5914	2.5914	2.5524		3.5070	2.7557	2.7557	3.5070	2.8295	1.1037	1.1037	2.8295	3.5020	1.1020
H6	2.2439	1.0934	2.2477	2.7557	3.5070		1.8436	3.1349	2.5355	3.7743	4.3759	3.8238	3.1175	2.5061	3.7764
H7	2.2439	1.0934	2.2477	3.5070	2.7557	1.8436		2.5355	3.1349	4.3759	3.7743	3.1175	3.8238	3.7764	2.5061
H8	2.2439	2.2477	1.0934	3.5070	2.7557	3.1349	2.5355		1.8436	3.8238	3.1175	3.7743	4.3759	3.7764	2.5061
H9	2.2439	2.2477	1.0934	2.7557	3.5070	2.5355	3.1349	1.8436		3.1175	3.8238	4.3759	3.7743	2.5061	3.7764
H10	2.1686	3.4892	3.0755	1.1037	2.8295	3.7743	4.3759	3.8238	3.1175		2.6595	3.2031	1.7853	1.7835	3.8333
H11	2.1686	3.4892	3.0755	2.8295	1.1037	4.3759	3.7743	3.1175	3.8238	2.6595		1.7853	3.2031	3.8333	1.7835
H12	2.1686	3.0755	3.4892	2.8295	1.1037	3.8238	3.1175	3.7743	4.3759	3.2031	1.7853		2.6595	3.8333	1.7835
H13	2.1686	3.0755	3.4892	1.1037	2.8295	3.1175	3.8238	4.3759	3.7743	1.7853	3.2031	2.6595		1.7835	3.8333
H14	2.1707	2.7254	2.7254	1.1020	3.5020	2.5061	3.7764	3.7764	2.5061	1.7835	3.8333	3.8333	1.7835		4.3291
H15	2.1707	2.7254	2.7254	3.5020	1.1020	3.7764	2.5061	2.5061	3.7764	3.8333	1.7835	1.7835	3.8333	4.3291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.823	C1	C2	H6	117.941
C1	C2	H7	117.941	C1	C3	C2	59.823
C1	C3	H8	117.941	C1	C3	H9	117.941
C1	C4	H10	110.879	C1	C4	H13	110.879
C1	C4	H14	111.151	C1	C5	H11	110.879
C1	C5	H12	110.879	C1	C5	H15	111.151
C2	C1	C3	60.354	C2	C1	C4	117.734
C2	C1	C5	117.734	C2	C3	H8	117.637
C2	C3	H9	117.637	C3	C1	C4	117.734
C3	C1	C5	117.734	C3	C2	H6	117.637
C3	C2	H7	117.637	C4	C1	C5	114.861
H6	C2	H7	114.921	H8	C3	H9	114.921
H10	C4	H13	107.954	H10	C4	H14	107.921
H11	C5	H12	107.954	H11	C5	H15	107.921
H12	C5	H15	107.921	H13	C4	H14	107.921

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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