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	hartrees
Energy at 0K	-195.947029
Energy at 298.15K	-195.957902
HF Energy	-195.194605
Nuclear repulsion energy	185.082829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3017	9.77
2	A	3159	2995	36.14
3	A	3063	2903	34.24
4	A	1546	1466	0.11
5	A	1530	1451	6.86
6	A	1441	1366	0.01
7	A	1384	1312	0.74
8	A	1102	1045	0.08
9	A	1079	1022	14.20
10	A	966	916	10.34
11	A	699	663	1.73
12	A	355	336	0.07
13	A	3270	3100	0.00
14	A	3142	2978	0.00
15	A	1501	1423	0.00
16	A	1212	1149	0.00
17	A	1088	1031	0.00
18	A	928	879	0.00
19	A	344	326	0.00
20	A	210	199	0.00
21	A	3178	3012	17.50
22	A	3143	2980	54.70
23	A	1523	1444	5.74
24	A	1495	1418	4.82
25	A	1177	1116	2.88
26	A	1095	1038	1.09
27	A	879	833	8.05
28	A	400	379	0.83
29	A	250	237	0.01
30	A	3283	3112	18.89
31	A	3157	2993	14.05
32	A	3060	2901	33.84
33	A	1519	1440	4.82
34	A	1432	1357	7.51
35	A	1351	1281	0.19
36	A	992	940	0.32
37	A	978	927	0.12
38	A	816	773	0.20
39	A	366	347	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.153
C2	0.757	0.000	-1.148
C3	-0.757	0.000	-1.148
C4	0.000	1.271	0.965
C5	0.000	-1.271	0.965
H6	1.259	0.912	-1.445
H7	1.259	-0.912	-1.445
H8	-1.259	-0.912	-1.445
H9	-1.259	0.912	-1.445
H10	-0.885	1.321	1.605
H11	-0.885	-1.321	1.605
H12	0.885	-1.321	1.605
H13	0.885	1.321	1.605
H14	0.000	2.149	0.316
H15	0.000	-2.149	0.316

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5050	1.5050	1.5080	1.5080	2.2295	2.2295	2.2295	2.2295	2.1536	2.1536	2.1536	2.1536	2.1549	2.1549
C2	1.5050		1.5140	2.5792	2.5792	1.0824	1.0824	2.2325	2.2325	3.4672	3.4672	3.0561	3.0561	2.7080	2.7080
C3	1.5050	1.5140		2.5792	2.5792	2.2325	2.2325	1.0824	1.0824	3.0561	3.0561	3.4672	3.4672	2.7080	2.7080
C4	1.5080	2.5792	2.5792		2.5410	2.7432	3.4868	3.4868	2.7432	1.0936	2.8125	2.8125	1.0936	1.0920	3.4803
C5	1.5080	2.5792	2.5792	2.5410		3.4868	2.7432	2.7432	3.4868	2.8125	1.0936	1.0936	2.8125	3.4803	1.0920
H6	2.2295	1.0824	2.2325	2.7432	3.4868		1.8232	3.1088	2.5181	3.7512	4.3462	3.7986	3.1003	2.4938	3.7488
H7	2.2295	1.0824	2.2325	3.4868	2.7432	1.8232		2.5181	3.1088	4.3462	3.7512	3.1003	3.7986	3.7488	2.4938
H8	2.2295	2.2325	1.0824	3.4868	2.7432	3.1088	2.5181		1.8232	3.7986	3.1003	3.7512	4.3462	3.7488	2.4938
H9	2.2295	2.2325	1.0824	2.7432	3.4868	2.5181	3.1088	1.8232		3.1003	3.7986	4.3462	3.7512	2.4938	3.7488
H10	2.1536	3.4672	3.0561	1.0936	2.8125	3.7512	4.3462	3.7986	3.1003		2.6424	3.1810	1.7710	1.7691	3.8060
H11	2.1536	3.4672	3.0561	2.8125	1.0936	4.3462	3.7512	3.1003	3.7986	2.6424		1.7710	3.1810	3.8060	1.7691
H12	2.1536	3.0561	3.4672	2.8125	1.0936	3.7986	3.1003	3.7512	4.3462	3.1810	1.7710		2.6424	3.8060	1.7691
H13	2.1536	3.0561	3.4672	1.0936	2.8125	3.1003	3.7986	4.3462	3.7512	1.7710	3.1810	2.6424		1.7691	3.8060
H14	2.1549	2.7080	2.7080	1.0920	3.4803	2.4938	3.7488	3.7488	2.4938	1.7691	3.8060	3.8060	1.7691		4.2974
H15	2.1549	2.7080	2.7080	3.4803	1.0920	3.7488	2.4938	2.4938	3.7488	3.8060	1.7691	1.7691	3.8060	4.2974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.802	C1	C2	H6	118.093
C1	C2	H7	118.093	C1	C3	C2	59.802
C1	C3	H8	118.093	C1	C3	H9	118.093
C1	C4	H10	110.742	C1	C4	H13	110.742
C1	C4	H14	110.938	C1	C5	H11	110.742
C1	C5	H12	110.742	C1	C5	H15	110.938
C2	C1	C3	60.395	C2	C1	C4	117.747
C2	C1	C5	117.747	C2	C3	H8	117.636
C2	C3	H9	117.636	C3	C1	C4	117.747
C3	C1	C5	117.747	C3	C2	H6	117.636
C3	C2	H7	117.636	C4	C1	C5	114.813
H6	C2	H7	114.742	H8	C3	H9	114.742
H10	C4	H13	108.140	H10	C4	H14	108.084
H11	C5	H12	108.140	H11	C5	H15	108.084
H12	C5	H15	108.084	H13	C4	H14	108.084

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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