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	hartrees
Energy at 0K	-268.193265
Energy at 298.15K	-268.204216
Nuclear repulsion energy	248.635612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3121	3.33
2	A'	3372	3120	1.84
3	A'	3244	3001	27.43
4	A'	3206	2966	2.93
5	A'	3205	2965	3.89
6	A'	3143	2908	0.04
7	A'	1643	1520	2.37
8	A'	1636	1514	1.34
9	A'	1626	1504	0.00
10	A'	1531	1416	0.04
11	A'	1515	1402	0.34
12	A'	1414	1308	0.87
13	A'	1339	1238	7.02
14	A'	1304	1207	11.42
15	A'	1104	1022	0.88
16	A'	1046	968	1.46
17	A'	1016	940	1.58
18	A'	964	892	0.14
19	A'	941	870	0.00
20	A'	872	807	0.25
21	A'	633	586	0.09
22	A'	397	368	0.07
23	A'	336	310	0.16
24	A'	52	48	2.60
25	A"	3367	3115	4.68
26	A"	3365	3114	0.00
27	A"	3241	2999	0.00
28	A"	3134	2899	33.67
29	A"	1645	1522	5.69
30	A"	1634	1512	0.00
31	A"	1604	1484	3.87
32	A"	1315	1217	6.39
33	A"	1272	1177	1.44
34	A"	1138	1053	0.00
35	A"	1095	1013	0.00
36	A"	1069	989	19.09
37	A"	955	883	0.00
38	A"	935	865	4.24
39	A"	386	357	0.01
40	A"	307	284	0.00
41	A"	217	200	0.00
42	A"	191	177	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.297	-1.295	0.000
H2	1.320	-1.944	0.899
H3	1.320	-1.944	-0.899
H4	2.205	-0.660	0.000
C5	-1.297	-1.294	0.000
H6	-2.205	-0.659	0.000
H7	-1.321	-1.943	-0.899
H8	-1.321	-1.943	0.899
C9	0.000	-0.409	0.000
C10	0.000	0.762	1.079
C11	0.000	0.762	-1.079
H12	-0.911	0.812	1.731
H13	-0.911	0.812	-1.731
H14	0.912	0.812	1.730
H15	0.912	0.812	-1.730
O16	0.000	1.836	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.1093	1.1093	1.1085	2.5937	3.5591	2.8429	2.8429	1.5706	2.6598	2.6598	3.5087	3.5087	2.7537	2.7537	3.3889
H2	1.1093		1.7987	1.8002	2.8428	3.8588	3.1957	2.6415	2.2157	3.0158	3.6024	3.6427	4.4153	2.9077	3.8314	4.1038
H3	1.1093	1.7987		1.8002	2.8428	3.8588	2.6415	3.1957	2.2157	3.6024	3.0158	4.4153	3.6427	3.8314	2.9077	4.1038
H4	1.1085	1.8002	1.8002		3.5591	4.4102	3.8588	3.8588	2.2193	2.8365	2.8365	3.8567	3.8567	2.6141	2.6141	3.3303
C5	2.5937	2.8428	2.8428	3.5591		1.1085	1.1093	1.1093	1.5706	2.6597	2.6597	2.7535	2.7535	3.5088	3.5088	3.3886
H6	3.5591	3.8588	3.8588	4.4102	1.1085		1.8002	1.8002	2.2193	2.8364	2.8364	2.6139	2.6139	3.8567	3.8567	3.3298
H7	2.8429	3.1957	2.6415	3.8588	1.1093	1.8002		1.7987	2.2158	3.6023	3.0157	3.8313	2.9075	4.4154	3.6429	4.1036
H8	2.8429	2.6415	3.1957	3.8588	1.1093	1.8002	1.7987		2.2158	3.0157	3.6023	2.9075	3.8313	3.6429	4.4154	4.1036
C9	1.5706	2.2157	2.2157	2.2193	1.5706	2.2193	2.2158	2.2158		1.5918	1.5918	2.3057	2.3057	2.3058	2.3058	2.2448
C10	2.6598	3.0158	3.6024	2.8365	2.6597	2.8364	3.6023	3.0157	1.5918		2.1585	1.1215	2.9544	1.1215	2.9543	1.5230
C11	2.6598	3.6024	3.0158	2.8365	2.6597	2.8364	3.0157	3.6023	1.5918	2.1585		2.9544	1.1215	2.9543	1.1215	1.5230
H12	3.5087	3.6427	4.4153	3.8567	2.7535	2.6139	3.8313	2.9075	2.3057	1.1215	2.9544		3.4611	1.8232	3.9119	2.2077
H13	3.5087	4.4153	3.6427	3.8567	2.7535	2.6139	2.9075	3.8313	2.3057	2.9544	1.1215	3.4611		3.9119	1.8232	2.2077
H14	2.7537	2.9077	3.8314	2.6141	3.5088	3.8567	4.4154	3.6429	2.3058	1.1215	2.9543	1.8232	3.9119		3.4610	2.2077
H15	2.7537	3.8314	2.9077	2.6141	3.5088	3.8567	3.6429	4.4154	2.3058	2.9543	1.1215	3.9119	1.8232	3.4610		2.2077
O16	3.3889	4.1038	4.1038	3.3303	3.3886	3.3298	4.1036	4.1036	2.2448	1.5230	1.5230	2.2077	2.2077	2.2077	2.2077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.316	C1	C9	C10	114.503
C1	C9	C11	114.503	H2	C1	H3	108.327
H2	C1	H4	108.526	H2	C1	C9	110.356
H3	C1	H4	108.526	H3	C1	C9	110.356
H4	C1	C9	110.681	C5	C9	C10	114.495
C5	C9	C11	114.495	H6	C5	H7	108.527
H6	C5	H8	108.527	H6	C5	C9	110.679
H7	C5	H8	108.327	H7	C5	C9	110.357
H8	C5	C9	110.357	C9	C10	H12	115.280
C9	C10	H14	115.282	C9	C10	O16	92.192
C9	C11	H13	115.280	C9	C11	H15	115.282
C9	C11	O16	92.192	C10	C9	C11	85.373
C10	O16	C11	90.243	H12	C10	H14	108.749
H12	C10	O16	112.302	H13	C11	H15	108.749
H13	C11	O16	112.302	H14	C10	O16	112.302
H15	C11	O16	112.302

All results from a given calculation for C₅H₁₀O (Oxetane, 3,3-dimethyl-)

using model chemistry: BLYP/STO-3G

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	-0.214
2	H	0.073
3	H	0.073
4	H	0.074
5	C	-0.214
6	H	0.074
7	H	0.073
8	H	0.073
9	C	0.020
10	C	-0.061
11	C	-0.061
12	H	0.066
13	H	0.066
14	H	0.066
15	H	0.066
16	O	-0.173

	x	y	z	Total
	-0.000	-1.533	0.000	1.533
CHELPG
AIM
ESP

<r²>	165.573
(<r²>)^1/2	12.868

All results from a given calculation for C5H10O (Oxetane, 3,3-dimethyl-)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₅H₁₀O (Oxetane, 3,3-dimethyl-)