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	hartrees
Energy at 0K	-193.037639
Energy at 298.15K	-193.044828
HF Energy	-193.037639
Nuclear repulsion energy	127.492294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3022	2978	38.26
2	A₁	2957	2915	2.51
3	A₁	1517	1496	0.00
4	A₁	1465	1444	2.93
5	A₁	1356	1337	2.12
6	A₁	1019	1004	4.68
7	A₁	896	883	30.56
8	A₁	795	784	4.47
9	A₂	2989	2946	0.00
10	A₂	1216	1198	0.00
11	A₂	1140	1124	0.00
12	A₂	833	821	0.00
13	B₁	3078	3034	45.45
14	B₁	2987	2944	112.94
15	B₁	1172	1155	0.67
16	B₁	1125	1109	1.68
17	B₁	760	749	0.12
18	B₁	72	71	2.14
19	B₂	2945	2903	199.67
20	B₂	1488	1467	3.49
21	B₂	1290	1271	0.53
22	B₂	1239	1221	9.17
23	B₂	994	980	94.07
24	B₂	930	916	11.83

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.079
C2	0.000	0.000	-1.079
C3	0.000	1.040	0.062
C4	0.000	-1.040	0.062
H5	0.894	0.000	-1.710
H6	-0.894	0.000	-1.710
H7	0.897	1.675	0.129
H8	-0.897	1.675	0.129
H9	-0.897	-1.675	0.129
H10	0.897	-1.675	0.129

	O1	C2	C3	C4	H5	H6	H7	H8	H9	H10
O1		2.1580	1.4553	1.4553	2.9287	2.9287	2.1243	2.1243	2.1243	2.1243
C2	2.1580		1.5439	1.5439	1.0941	1.0941	2.2511	2.2511	2.2511	2.2511
C3	1.4553	1.5439		2.0810	2.2405	2.2405	1.1004	1.1004	2.8604	2.8604
C4	1.4553	1.5439	2.0810		2.2405	2.2405	2.8604	2.8604	1.1004	1.1004
H5	2.9287	1.0941	2.2405	2.2405		1.7876	2.4871	3.0645	3.0645	2.4871
H6	2.9287	1.0941	2.2405	2.2405	1.7876		3.0645	2.4871	2.4871	3.0645
H7	2.1243	2.2511	1.1004	2.8604	2.4871	3.0645		1.7932	3.7996	3.3499
H8	2.1243	2.2511	1.1004	2.8604	3.0645	2.4871	1.7932		3.3499	3.7996
H9	2.1243	2.2511	2.8604	1.1004	3.0645	2.4871	3.7996	3.3499		1.7932
H10	2.1243	2.2511	2.8604	1.1004	2.4871	3.0645	3.3499	3.7996	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C2	92.039	O1	C3	H7	112.237
O1	C3	H8	112.237	O1	C4	C2	92.039
O1	C4	H9	112.237	O1	C4	H10	112.237
C2	C3	H7	115.386	C2	C3	H8	115.386
C2	C4	H9	115.386	C2	C4	H10	115.386
C3	O1	C4	91.799	C3	C2	C4	84.124
C3	C2	H5	115.415	C3	C2	H6	115.415
C4	C2	H5	115.415	C4	C2	H6	115.415
H5	C2	H6	109.371	H7	C3	H8	108.786
H9	C4	H10	108.786

All results from a given calculation for C₃H₆O (Oxetane)

using model chemistry: B97D3/6-311G**

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	-0.363
2	C	-0.340
3	C	0.037
4	C	0.037
5	H	0.123
6	H	0.123
7	H	0.096
8	H	0.096
9	H	0.096
10	H	0.096

<r²>	66.907
(<r²>)^1/2	8.180

All results from a given calculation for C3H6O (Oxetane)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₃H₆O (Oxetane)