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	hartrees
Energy at 0K	-195.502726
Energy at 298.15K	-195.513338
Nuclear repulsion energy	185.973616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3058	3025	6.22
2	A	3038	3004	27.49
3	A	2950	2917	32.31
4	A	1469	1453	0.82
5	A	1422	1406	11.91
6	A	1356	1341	1.28
7	A	1320	1305	0.01
8	A	1072	1060	0.13
9	A	985	974	13.12
10	A	950	940	16.96
11	A	706	698	1.56
12	A	330	326	0.01
13	A	3137	3103	0.00
14	A	3018	2985	0.00
15	A	1394	1379	0.00
16	A	1137	1124	0.00
17	A	1016	1004	0.00
18	A	853	844	0.00
19	A	322	319	0.00
20	A	217	214	0.00
21	A	3055	3022	15.47
22	A	3018	2985	37.24
23	A	1416	1400	8.78
24	A	1386	1371	12.30
25	A	1116	1104	6.28
26	A	1020	1009	0.79
27	A	863	854	3.57
28	A	376	372	1.11
29	A	239	236	0.01
30	A	3149	3115	10.50
31	A	3036	3003	9.27
32	A	2947	2915	28.74
33	A	1415	1400	3.55
34	A	1353	1338	19.73
35	A	1288	1274	2.19
36	A	942	932	1.05
37	A	922	912	0.13
38	A	762	754	0.06
39	A	339	335	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.748	0.000	-1.139
C3	-0.748	0.000	-1.139
C4	0.000	1.257	0.955
C5	0.000	-1.257	0.955
H6	1.259	0.918	-1.433
H7	1.259	-0.918	-1.433
H8	-1.259	-0.918	-1.433
H9	-1.259	0.918	-1.433
H10	-0.889	1.313	1.604
H11	-0.889	-1.313	1.604
H12	0.889	-1.313	1.604
H13	0.889	1.313	1.604
H14	0.000	2.145	0.306
H15	0.000	-2.145	0.306

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4911	1.4911	1.4921	1.4921	2.2223	2.2223	2.2223	2.2223	2.1506	2.1506	2.1506	2.1506	2.1506	2.1506
C2	1.4911		1.4965	2.5542	2.5542	1.0912	1.0912	2.2271	2.2271	3.4535	3.4535	3.0440	3.0440	2.6923	2.6923
C3	1.4911	1.4965		2.5542	2.5542	2.2271	2.2271	1.0912	1.0912	3.0440	3.0440	3.4535	3.4535	2.6923	2.6923
C4	1.4921	2.5542	2.5542		2.5136	2.7212	3.4670	3.4670	2.7212	1.1019	2.7956	2.7956	1.1019	1.1002	3.4632
C5	1.4921	2.5542	2.5542	2.5136		3.4670	2.7212	2.7212	3.4670	2.7956	1.1019	1.1019	2.7956	3.4632	1.1002
H6	2.2223	1.0912	2.2271	2.7212	3.4670		1.8360	3.1170	2.5189	3.7410	4.3379	3.7866	3.0850	2.4731	3.7407
H7	2.2223	1.0912	2.2271	3.4670	2.7212	1.8360		2.5189	3.1170	4.3379	3.7410	3.0850	3.7866	3.7407	2.4731
H8	2.2223	2.2271	1.0912	3.4670	2.7212	3.1170	2.5189		1.8360	3.7866	3.0850	3.7410	4.3379	3.7407	2.4731
H9	2.2223	2.2271	1.0912	2.7212	3.4670	2.5189	3.1170	1.8360		3.0850	3.7866	4.3379	3.7410	2.4731	3.7407
H10	2.1506	3.4535	3.0440	1.1019	2.7956	3.7410	4.3379	3.7866	3.0850		2.6261	3.1714	1.7779	1.7796	3.7991
H11	2.1506	3.4535	3.0440	2.7956	1.1019	4.3379	3.7410	3.0850	3.7866	2.6261		1.7779	3.1714	3.7991	1.7796
H12	2.1506	3.0440	3.4535	2.7956	1.1019	3.7866	3.0850	3.7410	4.3379	3.1714	1.7779		2.6261	3.7991	1.7796
H13	2.1506	3.0440	3.4535	1.1019	2.7956	3.0850	3.7866	4.3379	3.7410	1.7779	3.1714	2.6261		1.7796	3.7991
H14	2.1506	2.6923	2.6923	1.1002	3.4632	2.4731	3.7407	3.7407	2.4731	1.7796	3.7991	3.7991	1.7796		4.2900
H15	2.1506	2.6923	2.6923	3.4632	1.1002	3.7407	2.4731	2.4731	3.7407	3.7991	1.7796	1.7796	3.7991	4.2900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.881	C1	C2	H6	117.932
C1	C2	H7	117.932	C1	C3	C2	59.881
C1	C3	H8	117.932	C1	C3	H9	117.932
C1	C4	H10	111.117	C1	C4	H13	111.117
C1	C4	H14	111.223	C1	C5	H11	111.117
C1	C5	H12	111.117	C1	C5	H15	111.223
C2	C1	C3	60.237	C2	C1	C4	117.787
C2	C1	C5	117.787	C2	C3	H8	117.936
C2	C3	H9	117.936	C3	C1	C4	117.787
C3	C1	C5	117.787	C3	C2	H6	117.936
C3	C2	H7	117.936	C4	C1	C5	114.775
H6	C2	H7	114.551	H8	C3	H9	114.551
H10	C4	H13	107.557	H10	C4	H14	107.830
H11	C5	H12	107.557	H11	C5	H15	107.830
H12	C5	H15	107.830	H13	C4	H14	107.830

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

using model chemistry: LSDA/cc-pVTZ

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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Number	Element	Mulliken
1	C	0.115
2	C	-0.268
3	C	-0.268
4	C	-0.342
5	C	-0.342
6	H	0.112
7	H	0.112
8	H	0.112
9	H	0.112
10	H	0.113
11	H	0.113
12	H	0.113
13	H	0.113
14	H	0.103
15	H	0.103

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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