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	hartrees
Energy at 0K	-270.883635
Energy at 298.15K	-270.895479
HF Energy	-269.980846
Nuclear repulsion energy	257.397985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	2982	24.50
2	A'	3174	2978	26.92
3	A'	3141	2947	60.31
4	A'	3095	2904	15.38
5	A'	3090	2899	20.21
6	A'	3082	2892	26.93
7	A'	1598	1500	1.31
8	A'	1564	1468	4.61
9	A'	1550	1455	3.70
10	A'	1481	1390	4.01
11	A'	1467	1376	10.16
12	A'	1435	1347	0.37
13	A'	1353	1269	0.08
14	A'	1322	1241	8.21
15	A'	1207	1132	1.85
16	A'	1062	997	5.01
17	A'	1027	964	6.34
18	A'	992	931	3.67
19	A'	968	908	11.73
20	A'	869	815	9.93
21	A'	662	621	0.62
22	A'	417	391	0.11
23	A'	352	330	0.11
24	A'	110	104	6.76
25	A"	3170	2975	45.09
26	A"	3166	2971	0.57
27	A"	3139	2945	14.55
28	A"	3074	2884	84.66
29	A"	1579	1481	6.37
30	A"	1562	1466	4.89
31	A"	1548	1452	0.13
32	A"	1343	1260	3.22
33	A"	1281	1202	0.00
34	A"	1186	1113	0.13
35	A"	1095	1027	0.64
36	A"	1083	1016	73.43
37	A"	974	914	0.00
38	A"	920	863	2.99
39	A"	399	374	0.72
40	A"	319	299	0.39
41	A"	285	268	0.04
42	A"	230	216	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.264	1.290	0.000
H2	-1.276	1.935	0.886
H3	-1.276	1.935	-0.886
H4	-2.182	0.693	0.000
C5	1.253	1.218	0.000
H6	2.131	0.563	0.000
H7	1.303	1.859	-0.887
H8	1.303	1.859	0.887
C9	-0.031	0.399	0.000
C10	-0.031	-0.755	1.031
C11	-0.031	-0.755	-1.031
H12	0.804	-0.763	1.743
H13	0.804	-0.763	-1.743
H14	-0.973	-0.872	1.585
H15	-0.973	-0.872	-1.585
O16	0.120	-1.744	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0959	1.0959	1.0950	2.5179	3.4720	2.7750	2.7750	1.5212	2.6011	2.6011	3.3959	3.3959	2.6967	2.6967	3.3349
H2	1.0959		1.7720	1.7744	2.7737	3.7779	3.1304	2.5799	2.1665	2.9675	3.5300	3.5132	4.3033	2.9085	3.7520	4.0334
H3	1.0959	1.7720		1.7744	2.7737	3.7779	2.5799	3.1304	2.1665	3.5300	2.9675	4.3033	3.5132	3.7520	2.9085	4.0334
H4	1.0950	1.7744	1.7744		3.4746	4.3149	3.7805	3.7805	2.1706	2.7902	2.7902	3.7517	3.7517	2.5344	2.5344	3.3521
C5	2.5179	2.7737	2.7737	3.4746		1.0951	1.0959	1.0959	1.5231	2.5699	2.5699	2.6764	2.6764	3.4401	3.4401	3.1714
H6	3.4720	3.7779	3.7779	4.3149	1.0951		1.7753	1.7753	2.1687	2.7346	2.7346	2.5609	2.5609	3.7695	3.7695	3.0613
H7	2.7750	3.1304	2.5799	3.7805	1.0959	1.7753		1.7740	2.1681	3.5064	2.9387	3.7474	2.8035	4.3304	3.6233	3.8953
H8	2.7750	2.5799	3.1304	3.7805	1.0959	1.7753	1.7740		2.1681	2.9387	3.5064	2.8035	3.7474	3.6233	4.3304	3.8953
C9	1.5212	2.1665	2.1665	2.1706	1.5231	2.1687	2.1681	2.1681		1.5475	1.5475	2.2552	2.2552	2.2393	2.2393	2.1483
C10	2.6011	2.9675	3.5300	2.7902	2.5699	2.7346	3.5064	2.9387	1.5475		2.0625	1.0975	2.8971	1.0988	2.7832	1.4369
C11	2.6011	3.5300	2.9675	2.7902	2.5699	2.7346	2.9387	3.5064	1.5475	2.0625		2.8971	1.0975	2.7832	1.0988	1.4369
H12	3.3959	3.5132	4.3033	3.7517	2.6764	2.5609	3.7474	2.8035	2.2552	1.0975	2.8971		3.4854	1.7877	3.7743	2.1137
H13	3.3959	4.3033	3.5132	3.7517	2.6764	2.5609	2.8035	3.7474	2.2552	2.8971	1.0975	3.4854		3.7743	1.7877	2.1137
H14	2.6967	2.9085	3.7520	2.5344	3.4401	3.7695	4.3304	3.6233	2.2393	1.0988	2.7832	1.7877	3.7743		3.1704	2.1136
H15	2.6967	3.7520	2.9085	2.5344	3.4401	3.7695	3.6233	4.3304	2.2393	2.7832	1.0988	3.7743	1.7877	3.1704		2.1136
O16	3.3349	4.0334	4.0334	3.3521	3.1714	3.0613	3.8953	3.8953	2.1483	1.4369	1.4369	2.1137	2.1137	2.1136	2.1136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	111.603	C1	C9	C10	115.905
C1	C9	C11	115.905	H2	C1	H3	107.890
H2	C1	H4	108.175	H2	C1	C9	110.702
H3	C1	H4	108.175	H3	C1	C9	110.702
H4	C1	C9	111.083	C5	C9	C10	113.634
C5	C9	C11	113.634	H6	C5	H7	108.243
H6	C5	H8	108.243	H6	C5	C9	110.787
H7	C5	H8	108.076	H7	C5	C9	110.696
H8	C5	C9	110.696	C9	C10	H12	115.958
C9	C10	H14	114.538	C9	C10	O16	92.005
C9	C11	H13	115.958	C9	C11	H15	114.538
C9	C11	O16	92.005	C10	C9	C11	83.582
C10	O16	C11	91.727	H12	C10	H14	108.965
H12	C10	O16	112.333	H13	C11	H15	108.965
H13	C11	O16	112.333	H14	C10	O16	112.240
H15	C11	O16	112.240

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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