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	hartrees
Energy at 0K	-271.016935
Energy at 298.15K	-271.028765
HF Energy	-270.071151
Nuclear repulsion energy	257.839716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	2997	24.55
2	A'	3160	2995	31.37
3	A'	3139	2976	49.93
4	A'	3072	2912	22.17
5	A'	3065	2906	31.56
6	A'	3064	2905	14.86
7	A'	1559	1478	1.92
8	A'	1528	1448	4.32
9	A'	1511	1433	3.48
10	A'	1444	1369	2.94
11	A'	1425	1351	8.73
12	A'	1406	1333	0.22
13	A'	1329	1260	0.16
14	A'	1297	1229	6.22
15	A'	1199	1137	1.46
16	A'	1042	988	2.53
17	A'	1008	955	4.52
18	A'	978	927	1.94
19	A'	943	893	16.95
20	A'	846	801	12.55
21	A'	646	613	0.73
22	A'	411	390	0.16
23	A'	347	329	0.04
24	A'	125	118	6.80
25	A"	3154	2990	48.82
26	A"	3150	2986	0.56
27	A"	3139	2975	13.29
28	A"	3063	2903	98.41
29	A"	1539	1459	3.11
30	A"	1523	1443	7.58
31	A"	1502	1424	0.07
32	A"	1340	1270	2.51
33	A"	1249	1184	0.31
34	A"	1180	1119	0.54
35	A"	1077	1021	0.04
36	A"	1027	973	69.55
37	A"	961	911	0.48
38	A"	905	858	2.87
39	A"	389	369	1.00
40	A"	317	300	0.46
41	A"	291	275	0.05
42	A"	216	205	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.261	1.288	0.000
H2	-1.275	1.930	0.884
H3	-1.275	1.930	-0.884
H4	-2.174	0.689	0.000
C5	1.249	1.217	0.000
H6	2.123	0.562	0.000
H7	1.300	1.855	-0.885
H8	1.300	1.855	0.885
C9	-0.032	0.401	0.000
C10	-0.032	-0.752	1.027
C11	-0.032	-0.752	-1.027
H12	0.802	-0.757	1.734
H13	0.802	-0.757	-1.734
H14	-0.973	-0.867	1.573
H15	-0.973	-0.867	-1.573
O16	0.124	-1.748	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0926	1.0926	1.0916	2.5110	3.4610	2.7684	2.7684	1.5160	2.5940	2.5940	3.3833	3.3833	2.6841	2.6841	3.3376
H2	1.0926		1.7677	1.7690	2.7677	3.7681	3.1248	2.5761	2.1599	2.9602	3.5203	3.5013	4.2885	2.8973	3.7357	4.0338
H3	1.0926	1.7677		1.7690	2.7677	3.7681	2.5761	3.1248	2.1599	3.5203	2.9602	4.2885	3.5013	3.7357	2.8973	4.0338
H4	1.0916	1.7690	1.7690		3.4630	4.2986	3.7696	3.7696	2.1614	2.7785	2.7785	3.7356	3.7356	2.5178	2.5178	3.3500
C5	2.5110	2.7677	2.7677	3.4630		1.0918	1.0926	1.0926	1.5180	2.5632	2.5632	2.6651	2.6651	3.4286	3.4286	3.1710
H6	3.4610	3.7681	3.7681	4.2986	1.0918		1.7698	1.7698	2.1606	2.7248	2.7248	2.5484	2.5484	3.7557	3.7557	3.0552
H7	2.7684	3.1248	2.5761	3.7696	1.0926	1.7698		1.7699	2.1611	3.4967	2.9313	3.7328	2.7918	4.3155	3.6131	3.8925
H8	2.7684	2.5761	3.1248	3.7696	1.0926	1.7698	1.7699		2.1611	2.9313	3.4967	2.7918	3.7328	3.6131	4.3155	3.8925
C9	1.5160	2.1599	2.1599	2.1614	1.5180	2.1606	2.1611	2.1611		1.5442	1.5442	2.2461	2.2461	2.2296	2.2296	2.1553
C10	2.5940	2.9602	3.5203	2.7785	2.5632	2.7248	3.4967	2.9313	1.5442		2.0533	1.0935	2.8842	1.0947	2.7674	1.4389
C11	2.5940	3.5203	2.9602	2.7785	2.5632	2.7248	2.9313	3.4967	1.5442	2.0533		2.8842	1.0935	2.7674	1.0947	1.4389
H12	3.3833	3.5013	4.2885	3.7356	2.6651	2.5484	3.7328	2.7918	2.2461	1.0935	2.8842		3.4689	1.7859	3.7554	2.1095
H13	3.3833	4.2885	3.5013	3.7356	2.6651	2.5484	2.7918	3.7328	2.2461	2.8842	1.0935	3.4689		3.7554	1.7859	2.1095
H14	2.6841	2.8973	3.7357	2.5178	3.4286	3.7557	4.3155	3.6131	2.2296	1.0947	2.7674	1.7859	3.7554		3.1462	2.1107
H15	2.6841	3.7357	2.8973	2.5178	3.4286	3.7557	3.6131	4.3155	2.2296	2.7674	1.0947	3.7554	1.7859	3.1462		2.1107
O16	3.3376	4.0338	4.0338	3.3500	3.1710	3.0552	3.8925	3.8925	2.1553	1.4389	1.4389	2.1095	2.1095	2.1107	2.1107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.713	C1	C9	C10	115.911
C1	C9	C11	115.911	H2	C1	H3	107.979
H2	C1	H4	108.175	H2	C1	C9	110.740
H3	C1	H4	108.175	H3	C1	C9	110.740
H4	C1	C9	110.921	C5	C9	C10	113.653
C5	C9	C11	113.653	H6	C5	H7	108.230
H6	C5	H8	108.230	H6	C5	C9	110.704
H7	C5	H8	108.182	H7	C5	C9	110.700
H8	C5	C9	110.700	C9	C10	H12	115.694
C9	C10	H14	114.237	C9	C10	O16	92.451
C9	C11	H13	115.694	C9	C11	H15	114.237
C9	C11	O16	92.451	C10	C9	C11	83.338
C10	O16	C11	91.038	H12	C10	H14	109.394
H12	C10	O16	112.097	H13	C11	H15	109.394
H13	C11	O16	112.097	H14	C10	O16	112.114
H15	C11	O16	112.114

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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