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	hartrees
Energy at 0K	-196.264283
Energy at 298.15K	-196.275091
HF Energy	-196.048252
Nuclear repulsion energy	184.347574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3013	12.48
2	A₁	3146	2987	39.49
3	A₁	3067	2912	36.87
4	A₁	1566	1486	0.05
5	A₁	1551	1473	4.63
6	A₁	1469	1394	0.17
7	A₁	1390	1320	1.46
8	A₁	1115	1058	0.99
9	A₁	1071	1017	7.38
10	A₁	971	921	11.43
11	A₁	699	664	1.41
12	A₁	354	336	0.01
13	A₂	3247	3082	0.00
14	A₂	3129	2970	0.00
15	A₂	1532	1454	0.00
16	A₂	1215	1154	0.00
17	A₂	1092	1037	0.00
18	A₂	920	873	0.00
19	A₂	333	316	0.00
20	A₂	221	210	0.00
21	B₁	3169	3008	22.25
22	B₁	3132	2973	63.48
23	B₁	1550	1471	5.20
24	B₁	1513	1436	2.45
25	B₁	1191	1130	5.29
26	B₁	1095	1039	1.05
27	B₁	874	829	6.02
28	B₁	396	376	1.02
29	B₁	247	234	0.01
30	B₂	3260	3094	26.37
31	B₂	3144	2985	17.56
32	B₂	3063	2907	32.48
33	B₂	1545	1467	4.37
34	B₂	1457	1383	5.12
35	B₂	1353	1284	1.34
36	B₂	995	944	0.38
37	B₂	972	923	0.57
38	B₂	807	766	0.09
39	B₂	362	344	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.152
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	1.266	0.911	-1.451
H7	1.266	-0.911	-1.451
H8	-1.266	-0.911	-1.451
H9	-1.266	0.911	-1.451
H10	-0.886	1.326	1.613
H11	-0.886	-1.326	1.613
H12	0.886	-1.326	1.613
H13	0.886	1.326	1.613
H14	0.000	2.158	0.326
H15	0.000	-2.158	0.326

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5092	1.5092	1.5139	1.5139	2.2364	2.2364	2.2364	2.2364	2.1627	2.1627	2.1627	2.1627	2.1647	2.1647
C2	1.5092		1.5137	2.5897	2.5897	1.0854	1.0854	2.2388	2.2388	3.4800	3.4800	3.0708	3.0708	2.7235	2.7235
C3	1.5092	1.5137		2.5897	2.5897	2.2388	2.2388	1.0854	1.0854	3.0708	3.0708	3.4800	3.4800	2.7235	2.7235
C4	1.5139	2.5897	2.5897		2.5474	2.7558	3.4981	3.4981	2.7558	1.0955	2.8206	2.8206	1.0955	1.0939	3.4913
C5	1.5139	2.5897	2.5897	2.5474		3.4981	2.7558	2.7558	3.4981	2.8206	1.0955	1.0955	2.8206	3.4913	1.0939
H6	2.2364	1.0854	2.2388	2.7558	3.4981		1.8226	3.1205	2.5330	3.7666	4.3612	3.8124	3.1146	2.5124	3.7652
H7	2.2364	1.0854	2.2388	3.4981	2.7558	1.8226		2.5330	3.1205	4.3612	3.7666	3.1146	3.8124	3.7652	2.5124
H8	2.2364	2.2388	1.0854	3.4981	2.7558	3.1205	2.5330		1.8226	3.8124	3.1146	3.7666	4.3612	3.7652	2.5124
H9	2.2364	2.2388	1.0854	2.7558	3.4981	2.5330	3.1205	1.8226		3.1146	3.8124	4.3612	3.7666	2.5124	3.7652
H10	2.1627	3.4800	3.0708	1.0955	2.8206	3.7666	4.3612	3.8124	3.1146		2.6520	3.1890	1.7711	1.7699	3.8180
H11	2.1627	3.4800	3.0708	2.8206	1.0955	4.3612	3.7666	3.1146	3.8124	2.6520		1.7711	3.1890	3.8180	1.7699
H12	2.1627	3.0708	3.4800	2.8206	1.0955	3.8124	3.1146	3.7666	4.3612	3.1890	1.7711		2.6520	3.8180	1.7699
H13	2.1627	3.0708	3.4800	1.0955	2.8206	3.1146	3.8124	4.3612	3.7666	1.7711	3.1890	2.6520		1.7699	3.8180
H14	2.1647	2.7235	2.7235	1.0939	3.4913	2.5124	3.7652	3.7652	2.5124	1.7699	3.8180	3.8180	1.7699		4.3153
H15	2.1647	2.7235	2.7235	3.4913	1.0939	3.7652	2.5124	2.5124	3.7652	3.8180	1.7699	1.7699	3.8180	4.3153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.902	C1	C2	H6	118.153
C1	C2	H7	118.153	C1	C3	C2	59.902
C1	C3	H8	118.153	C1	C3	H9	118.153
C1	C4	H10	110.936	C1	C4	H13	110.936
C1	C4	H14	111.190	C1	C5	H11	110.936
C1	C5	H12	110.936	C1	C5	H15	111.190
C2	C1	C3	60.197	C2	C1	C4	117.881
C2	C1	C5	117.881	C2	C3	H8	118.005
C2	C3	H9	118.005	C3	C1	C4	117.881
C3	C1	C5	117.881	C3	C2	H6	118.005
C3	C2	H7	118.005	C4	C1	C5	114.563
H6	C2	H7	114.192	H8	C3	H9	114.192
H10	C4	H13	107.873	H10	C4	H14	107.881
H11	C5	H12	107.873	H11	C5	H15	107.881
H12	C5	H15	107.881	H13	C4	H14	107.881

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.090
2	C	-0.345
3	C	-0.345
4	C	-0.465
5	C	-0.465
6	H	0.159
7	H	0.159
8	H	0.159
9	H	0.159
10	H	0.150
11	H	0.150
12	H	0.150
13	H	0.150
14	H	0.147
15	H	0.147

<r²>	122.843
(<r²>)^1/2	11.083

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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