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	hartrees
Energy at 0K	-196.598469
Energy at 298.15K	-196.609246
HF Energy	-196.598469
Nuclear repulsion energy	184.466908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3123	3015	12.86
2	A	3090	2984	38.53
3	A	3019	2914	46.23
4	A	1521	1468	0.02
5	A	1508	1455	7.52
6	A	1427	1378	0.08
7	A	1352	1306	1.66
8	A	1085	1047	0.24
9	A	1041	1005	12.24
10	A	942	910	11.98
11	A	685	662	1.95
12	A	354	342	0.04
13	A	3194	3083	0.00
14	A	3067	2961	0.00
15	A	1485	1434	0.00
16	A	1189	1148	0.00
17	A	1068	1031	0.00
18	A	903	872	0.00
19	A	333	321	0.00
20	A	213	206	0.00
21	A	3119	3011	27.40
22	A	3070	2964	66.95
23	A	1504	1452	6.66
24	A	1475	1424	5.57
25	A	1160	1120	4.51
26	A	1075	1038	0.96
27	A	848	818	6.87
28	A	397	383	1.18
29	A	241	232	0.01
30	A	3208	3097	26.51
31	A	3088	2981	20.08
32	A	3013	2909	33.72
33	A	1498	1446	5.00
34	A	1415	1366	8.12
35	A	1317	1272	1.29
36	A	976	942	0.37
37	A	947	915	0.18
38	A	796	769	0.02
39	A	363	351	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.757	0.000	-1.154
C3	-0.757	0.000	-1.154
C4	0.000	1.274	0.970
C5	0.000	-1.274	0.970
H6	1.264	0.910	-1.451
H7	1.264	-0.910	-1.451
H8	-1.264	-0.910	-1.451
H9	-1.264	0.910	-1.451
H10	-0.884	1.326	1.612
H11	-0.884	-1.326	1.612
H12	0.884	-1.326	1.612
H13	0.884	1.326	1.612
H14	0.000	2.158	0.329
H15	0.000	-2.158	0.329

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5085	1.5085	1.5143	1.5143	2.2343	2.2343	2.2343	2.2343	2.1621	2.1621	2.1621	2.1621	2.1657	2.1657
C2	1.5085		1.5140	2.5893	2.5893	1.0831	1.0831	2.2364	2.2364	3.4786	3.4786	3.0697	3.0697	2.7257	2.7257
C3	1.5085	1.5140		2.5893	2.5893	2.2364	2.2364	1.0831	1.0831	3.0697	3.0697	3.4786	3.4786	2.7257	2.7257
C4	1.5143	2.5893	2.5893		2.5483	2.7549	3.4966	3.4966	2.7549	1.0941	2.8208	2.8208	1.0941	1.0920	3.4918
C5	1.5143	2.5893	2.5893	2.5483		3.4966	2.7549	2.7549	3.4966	2.8208	1.0941	1.0941	2.8208	3.4918	1.0920
H6	2.2343	1.0831	2.2364	2.7549	3.4966		1.8194	3.1150	2.5285	3.7642	4.3584	3.8112	3.1143	2.5150	3.7655
H7	2.2343	1.0831	2.2364	3.4966	2.7549	1.8194		2.5285	3.1150	4.3584	3.7642	3.1143	3.8112	3.7655	2.5150
H8	2.2343	2.2364	1.0831	3.4966	2.7549	3.1150	2.5285		1.8194	3.8112	3.1143	3.7642	4.3584	3.7655	2.5150
H9	2.2343	2.2364	1.0831	2.7549	3.4966	2.5285	3.1150	1.8194		3.1143	3.8112	4.3584	3.7642	2.5150	3.7655
H10	2.1621	3.4786	3.0697	1.0941	2.8208	3.7642	4.3584	3.8112	3.1143		2.6527	3.1880	1.7682	1.7664	3.8172
H11	2.1621	3.4786	3.0697	2.8208	1.0941	4.3584	3.7642	3.1143	3.8112	2.6527		1.7682	3.1880	3.8172	1.7664
H12	2.1621	3.0697	3.4786	2.8208	1.0941	3.8112	3.1143	3.7642	4.3584	3.1880	1.7682		2.6527	3.8172	1.7664
H13	2.1621	3.0697	3.4786	1.0941	2.8208	3.1143	3.8112	4.3584	3.7642	1.7682	3.1880	2.6527		1.7664	3.8172
H14	2.1657	2.7257	2.7257	1.0920	3.4918	2.5150	3.7655	3.7655	2.5150	1.7664	3.8172	3.8172	1.7664		4.3168
H15	2.1657	2.7257	2.7257	3.4918	1.0920	3.7655	2.5150	2.5150	3.7655	3.8172	1.7664	1.7664	3.8172	4.3168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.878	C1	C2	H6	118.189
C1	C2	H7	118.189	C1	C3	C2	59.878
C1	C3	H8	118.189	C1	C3	H9	118.189
C1	C4	H10	110.943	C1	C4	H13	110.943
C1	C4	H14	111.362	C1	C5	H11	110.943
C1	C5	H12	110.943	C1	C5	H15	111.362
C2	C1	C3	60.244	C2	C1	C4	117.869
C2	C1	C5	117.869	C2	C3	H8	117.924
C2	C3	H9	117.924	C3	C1	C4	117.869
C3	C1	C5	117.869	C3	C2	H6	117.924
C3	C2	H7	117.924	C4	C1	C5	114.574
H6	C2	H7	114.253	H8	C3	H9	114.253
H10	C4	H13	107.820	H10	C4	H14	107.809
H11	C5	H12	107.820	H11	C5	H15	107.809
H12	C5	H15	107.809	H13	C4	H14	107.809

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.029
2	C	-0.312
3	C	-0.312
4	C	-0.313
5	C	-0.313
6	H	0.136
7	H	0.136
8	H	0.136
9	H	0.136
10	H	0.116
11	H	0.116
12	H	0.116
13	H	0.116
14	H	0.106
15	H	0.106

<r²>	123.133
(<r²>)^1/2	11.097

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

using model chemistry: B3LYP/TZVP

States and conformations

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