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	hartrees
Energy at 0K	-193.118308
Energy at 298.15K
HF Energy	-193.118308
Nuclear repulsion energy	128.697097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	2967	25.99
2	A₁	3048	2915	0.20
3	A₁	1539	1472	0.01
4	A₁	1488	1423	4.60
5	A₁	1386	1326	1.57
6	A₁	1071	1025	10.15
7	A₁	952	911	32.20
8	A₁	817	782	4.91
9	A₂	3087	2953	0.00
10	A₂	1243	1189	0.00
11	A₂	1167	1116	0.00
12	A₂	841	804	0.00
13	B₁	3159	3022	29.73
14	B₁	3085	2951	64.99
15	B₁	1206	1153	0.01
16	B₁	1148	1098	2.57
17	B₁	763	730	0.36
18	B₁	95i	91i	4.04
19	B₂	3039	2907	151.33
20	B₂	1511	1445	0.23
21	B₂	1324	1266	0.49
22	B₂	1275	1220	9.77
23	B₂	1075	1029	102.46
24	B₂	959	918	2.96

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.062
C2	0.000	0.000	-1.074
C3	0.000	1.030	0.068
C4	0.000	-1.030	0.068
H5	0.887	0.000	-1.701
H6	-0.887	0.000	-1.701
H7	0.890	1.660	0.133
H8	-0.890	1.660	0.133
H9	-0.890	-1.660	0.133
H10	0.890	-1.660	0.133

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1354	1.4307	1.4307	2.9017	2.9017	2.1002	2.1002	2.1002	2.1002
C2	2.1354		1.5376	1.5376	1.0865	1.0865	2.2370	2.2370	2.2370	2.2370
C3	1.4307	1.5376		2.0591	2.2310	2.2310	1.0924	1.0924	2.8340	2.8340
C4	1.4307	1.5376	2.0591		2.2310	2.2310	2.8340	2.8340	1.0924	1.0924
H5	2.9017	1.0865	2.2310	2.2310		1.7741	2.4740	3.0458	3.0458	2.4740
H6	2.9017	1.0865	2.2310	2.2310	1.7741		3.0458	2.4740	2.4740	3.0458
H7	2.1002	2.2370	1.0924	2.8340	2.4740	3.0458		1.7790	3.7673	3.3208
H8	2.1002	2.2370	1.0924	2.8340	3.0458	2.4740	1.7790		3.3208	3.7673
H9	2.1002	2.2370	2.8340	1.0924	3.0458	2.4740	3.7673	3.3208		1.7790
H10	2.1002	2.2370	2.8340	1.0924	2.4740	3.0458	3.3208	3.7673	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	91.941	O1	C3	H7	111.991
O1	C3	H8	111.991	O1	C4	C2	91.941
O1	C4	H9	111.991	O1	C4	H10	111.991
C2	C3	H7	115.509	C2	C3	H8	115.509
C2	C4	H9	115.509	C2	C4	H10	115.509
C3	O1	C4	92.045	C3	C2	C4	84.073
C3	C2	H5	115.397	C3	C2	H6	115.397
C4	C2	H5	115.397	C4	C2	H6	115.397
H5	C2	H6	109.456	H7	C3	H8	109.028
H9	C4	H10	109.028

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: wB97X-D/aug-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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Number	Element	Mulliken
1	O	-0.611
2	C	-0.477
3	C	-0.187
4	C	-0.187
5	H	0.248
6	H	0.248
7	H	0.241
8	H	0.241
9	H	0.241
10	H	0.241

<r²>	65.972
(<r²>)^1/2	8.122

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)