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	hartrees
Energy at 0K	-195.725645
Energy at 298.15K	-195.736661
HF Energy	-195.132549
Nuclear repulsion energy	185.183410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3341	3086	25.68
2	A	3329	3075	0.00
3	A	3258	3009	11.28
4	A	3250	3002	20.41
5	A	3230	2984	38.43
6	A	3228	2982	17.33
7	A	3218	2973	62.27
8	A	3215	2970	0.00
9	A	3149	2909	33.50
10	A	3144	2904	30.35
11	A	1626	1502	0.46
12	A	1600	1478	5.39
13	A	1596	1474	5.52
14	A	1590	1469	4.37
15	A	1578	1457	0.00
16	A	1561	1442	3.33
17	A	1523	1407	0.00
18	A	1514	1399	7.79
19	A	1451	1340	0.84
20	A	1405	1298	0.49
21	A	1259	1163	0.00
22	A	1243	1148	5.95
23	A	1164	1075	1.59
24	A	1157	1069	0.72
25	A	1129	1043	0.00
26	A	1126	1040	5.45
27	A	1028	949	0.54
28	A	1013	936	14.62
29	A	1008	931	0.48
30	A	955	883	0.00
31	A	925	855	7.42
32	A	835	771	0.08
33	A	730	674	1.88
34	A	415	383	1.05
35	A	378	349	0.73
36	A	369	341	0.02
37	A	348	322	0.00
38	A	257	238	0.01
39	A	229	211	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.147	-0.000	-0.000
C2	1.149	-0.000	0.752
C3	1.149	-0.000	-0.752
C4	-0.967	1.269	-0.000
C5	-0.967	-1.269	0.000
H6	1.447	0.907	1.260
H7	1.447	-0.906	1.260
H8	1.447	-0.907	-1.260
H9	1.447	0.906	-1.260
H10	-1.607	1.318	0.882
H11	-1.607	-1.318	-0.882
H12	-0.328	2.152	-0.000
H13	-1.607	1.318	-0.882
H14	-0.329	-2.152	0.000
H15	-1.607	-1.318	0.882

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4984	1.4984	1.5111	1.5111	2.2250	2.2251	2.2250	2.2251	2.1557	2.1557	2.1596	2.1558	2.1596	2.1557
C2	1.4984		1.5036	2.5796	2.5796	1.0811	1.0811	2.2266	2.2267	3.0577	3.4646	2.7166	3.4647	2.7166	3.0581
C3	1.4984	1.5036		2.5796	2.5796	2.2266	2.2267	1.0811	1.0811	3.4646	3.0578	2.7165	3.0581	2.7167	3.4647
C4	1.5111	2.5796	2.5796		2.5384	2.7471	3.4856	3.4856	2.7474	1.0910	2.8076	1.0895	1.0910	3.4803	2.8074
C5	1.5111	2.5796	2.5796	2.5384		3.4857	2.7475	2.7473	3.4857	2.8077	1.0910	3.4803	2.8074	1.0895	1.0910
H6	2.2250	1.0811	2.2266	2.7471	3.4857		1.8129	3.1044	2.5200	3.1045	4.3435	2.5084	3.7532	3.7543	3.7974
H7	2.2251	1.0811	2.2267	3.4856	2.7475	1.8129		2.5201	3.1045	3.7972	3.7533	3.7544	4.3436	2.5085	3.1052
H8	2.2250	2.2266	1.0811	3.4856	2.7473	3.1044	2.5201		1.8129	4.3435	3.1047	3.7543	3.7975	2.5085	3.7532
H9	2.2251	2.2267	1.0811	2.7474	3.4857	2.5200	3.1045	1.8129		3.7532	3.7972	2.5084	3.1052	3.7544	4.3436
H10	2.1557	3.0577	3.4646	1.0910	2.8077	3.1045	3.7972	4.3435	3.7532		3.1726	1.7630	1.7644	3.8020	2.6363
H11	2.1557	3.4646	3.0578	2.8076	1.0910	4.3435	3.7533	3.1047	3.7972	3.1726		3.8019	2.6362	1.7630	1.7644
H12	2.1596	2.7166	2.7165	1.0895	3.4803	2.5084	3.7544	3.7543	2.5084	1.7630	3.8019		1.7630	4.3040	3.8019
H13	2.1558	3.4647	3.0581	1.0910	2.8074	3.7532	4.3436	3.7975	3.1052	1.7644	2.6362	1.7630		3.8019	3.1719
H14	2.1596	2.7166	2.7167	3.4803	1.0895	3.7543	2.5085	2.5085	3.7544	3.8020	1.7630	4.3040	3.8019		1.7630
H15	2.1557	3.0581	3.4647	2.8074	1.0910	3.7974	3.1052	3.7532	4.3436	2.6363	1.7644	3.8019	3.1719	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.887	C1	C2	H6	118.310
C1	C2	H7	118.321	C1	C3	C2	59.887
C1	C3	H8	118.312	C1	C3	H9	118.319
C1	C4	H10	110.853	C1	C4	H13	110.855
C1	C4	H14	22.294	C1	C5	H11	110.853
C1	C5	H12	22.294	C1	C5	H15	110.854
C2	C1	C3	60.226	C2	C1	C4	117.993
C2	C1	C5	118.000	C2	C3	H8	118.039
C2	C3	H9	118.044	C3	C1	C4	117.997
C3	C1	C5	117.997	C3	C2	H6	118.038
C3	C2	H7	118.046	C4	C1	C5	114.270
H6	C2	H7	113.953	H8	C3	H9	113.954
H10	C4	H13	107.927	H10	C4	H14	98.727
H11	C5	H12	98.724	H11	C5	H15	107.927
H12	C5	H15	98.725	H13	C4	H14	98.724

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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