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	hartrees
Energy at 0K	-49.373984
Energy at 298.15K	-49.385587
HF Energy	-48.796312
Nuclear repulsion energy	140.133797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	3014	94.78
2	A'	3065	2992	39.26
3	A'	3058	2985	20.67
4	A'	3001	2929	15.75
5	A'	2953	2882	30.69
6	A'	2949	2879	34.27
7	A'	1541	1504	1.20
8	A'	1531	1495	5.74
9	A'	1517	1481	4.22
10	A'	1455	1420	4.05
11	A'	1438	1404	12.45
12	A'	1370	1337	0.65
13	A'	1311	1280	0.66
14	A'	1271	1240	3.90
15	A'	1108	1081	0.54
16	A'	1020	995	0.75
17	A'	982	958	0.98
18	A'	955	932	0.15
19	A'	867	846	3.24
20	A'	772	754	20.19
21	A'	619	604	1.20
22	A'	394	385	0.06
23	A'	337	329	0.17
24	A'	98	95	10.33
25	A"	3085	3011	11.43
26	A"	3056	2983	75.60
27	A"	3050	2977	0.02
28	A"	2993	2922	103.75
29	A"	1534	1497	6.48
30	A"	1518	1481	4.40
31	A"	1510	1474	0.01
32	A"	1300	1269	6.49
33	A"	1243	1213	0.06
34	A"	1104	1077	0.15
35	A"	1070	1044	0.16
36	A"	953	930	1.83
37	A"	904	882	25.26
38	A"	875	854	18.63
39	A"	380	371	1.62
40	A"	305	298	0.40
41	A"	275	268	0.04
42	A"	213	208	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.072	1.514	0.000
H2	-0.968	2.156	0.894
H3	-0.968	2.156	-0.894
H4	-2.088	1.082	0.000
C5	1.447	0.962	0.000
H6	2.181	0.138	0.000
H7	1.621	1.587	-0.895
H8	1.621	1.587	0.895
C9	0.000	0.392	0.000
C10	-0.187	-0.744	1.079
C11	-0.187	-0.744	-1.079
H12	0.591	-0.847	1.851
H13	0.591	-0.847	-1.851
H14	-1.197	-0.786	1.523
H15	-1.197	-0.786	-1.523
O16	-0.032	-1.827	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.1053	1.1053	1.1044	2.5788	3.5325	2.8390	2.8390	1.5519	2.6544	2.6544	3.4305	3.4305	2.7619	2.7619	3.4994
H2	1.1053		1.7881	1.7908	2.8384	3.8458	3.1983	2.6510	2.2016	3.0085	3.5931	3.5163	4.3571	3.0172	3.8146	4.1879
H3	1.1053	1.7881		1.7908	2.8384	3.8458	2.6510	3.1983	2.2016	3.5931	3.0085	4.3571	3.5163	3.8146	3.0172	4.1879
H4	1.1044	1.7908	1.7908		3.5376	4.3730	3.8493	3.8493	2.1994	2.8483	2.8483	3.7853	3.7853	2.5703	2.5703	3.5628
C5	2.5788	2.8384	2.8384	3.5376		1.1041	1.1053	1.1053	1.5556	2.5975	2.5975	2.7264	2.7264	3.5168	3.5168	3.1573
H6	3.5325	3.8458	3.8458	4.3730	1.1041		1.7930	1.7930	2.1962	2.7482	2.7482	2.6316	2.6316	3.8191	3.8191	2.9596
H7	2.8390	3.1983	2.6510	3.8493	1.1053	1.7930		1.7904	2.2040	3.5498	2.9558	3.8115	2.8105	4.4069	3.7372	3.8973
H8	2.8390	2.6510	3.1983	3.8493	1.1053	1.7930	1.7904		2.2040	2.9558	3.5498	2.8105	3.8115	3.7372	4.4069	3.8973
C9	1.5519	2.2016	2.2016	2.1994	1.5556	2.1962	2.2040	2.2040		1.5779	1.5779	2.3046	2.3046	2.2673	2.2673	2.2193
C10	2.6544	3.0085	3.5931	2.8483	2.5975	2.7482	3.5498	2.9558	1.5779		2.1583	1.1012	3.0336	1.1035	2.7916	1.5370
C11	2.6544	3.5931	3.0085	2.8483	2.5975	2.7482	2.9558	3.5498	1.5779	2.1583		3.0336	1.1012	2.7916	1.1035	1.5370
H12	3.4305	3.5163	4.3571	3.7853	2.7264	2.6316	3.8115	2.8105	2.3046	1.1012	3.0336		3.7021	1.8187	3.8191	2.1851
H13	3.4305	4.3571	3.5163	3.7853	2.7264	2.6316	2.8105	3.8115	2.3046	3.0336	1.1012	3.7021		3.8191	1.8187	2.1851
H14	2.7619	3.0172	3.8146	2.5703	3.5168	3.8191	4.4069	3.7372	2.2673	1.1035	2.7916	1.8187	3.8191		3.0465	2.1818
H15	2.7619	3.8146	3.0172	2.5703	3.5168	3.8191	3.7372	4.4069	2.2673	2.7916	1.1035	3.8191	1.8187	3.0465		2.1818
O16	3.4994	4.1879	4.1879	3.5628	3.1573	2.9596	3.8973	3.8973	2.2193	1.5370	1.5370	2.1851	2.1851	2.1818	2.1818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	112.176	C1	C9	C10	116.012
C1	C9	C11	116.012	H2	C1	H3	107.969
H2	C1	H4	108.273	H2	C1	C9	110.781
H3	C1	H4	108.273	H3	C1	C9	110.781
H4	C1	C9	110.662	C5	C9	C10	111.985
C5	C9	C11	111.985	H6	C5	H7	108.496
H6	C5	H8	108.496	H6	C5	C9	110.172
H7	C5	H8	108.181	H7	C5	C9	110.711
H8	C5	C9	110.711	C9	C10	H12	117.586
C9	C10	H14	114.298	C9	C10	O16	90.868
C9	C11	H13	117.586	C9	C11	H15	114.298
C9	C11	O16	90.868	C10	C9	C11	86.302
C10	O16	C11	89.197	H12	C10	H14	111.157
H12	C10	O16	110.764	H13	C11	H15	111.157
H13	C11	O16	110.764	H14	C10	O16	110.362
H15	C11	O16	110.362

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

using model chemistry: MP2/CEP-121G

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

using model chemistry: MP2/CEP-121G

States and conformations

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