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	hartrees
Energy at 0K	-270.111235
Energy at 298.15K	-270.122943
Nuclear repulsion energy	255.620415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3004	54.65
2	A'	3137	3002	31.85
3	A'	3133	2997	2.25
4	A'	3066	2933	27.30
5	A'	3056	2924	21.59
6	A'	3053	2921	20.62
7	A'	1574	1506	1.89
8	A'	1558	1490	6.16
9	A'	1541	1474	4.88
10	A'	1459	1396	5.61
11	A'	1438	1376	22.32
12	A'	1365	1305	7.85
13	A'	1317	1260	1.03
14	A'	1284	1228	4.59
15	A'	1127	1078	0.08
16	A'	1025	981	2.97
17	A'	1010	966	0.64
18	A'	978	936	0.53
19	A'	909	870	5.98
20	A'	816	781	12.18
21	A'	628	600	0.84
22	A'	396	379	0.15
23	A'	332	317	0.26
24	A'	98	94	8.17
25	A"	3136	3000	24.63
26	A"	3131	2995	24.62
27	A"	3126	2991	1.71
28	A"	3054	2922	69.98
29	A"	1569	1501	12.42
30	A"	1546	1479	1.69
31	A"	1543	1476	0.21
32	A"	1284	1228	9.66
33	A"	1249	1195	0.97
34	A"	1121	1073	0.01
35	A"	1080	1033	0.13
36	A"	973	931	34.54
37	A"	962	920	12.72
38	A"	886	848	6.51
39	A"	391	374	0.14
40	A"	320	306	0.46
41	A"	298	285	0.12
42	A"	228	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.272	1.355	0.000
H2	-1.244	1.998	0.886
H3	-1.244	1.998	-0.886
H4	-2.218	0.804	0.000
C5	1.256	1.120	0.000
H6	2.061	0.379	0.000
H7	1.356	1.752	-0.889
H8	1.356	1.752	0.889
C9	-0.090	0.402	0.000
C10	-0.090	-0.740	1.052
C11	-0.090	-0.740	-1.052
H12	0.645	-0.668	1.856
H13	0.645	-0.668	-1.856
H14	-1.088	-0.959	1.446
H15	-1.088	-0.959	-1.446
O16	0.317	-1.726	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	C10	C11	H12	H13	H14	H15	O16
C1		1.0953	1.0953	1.0946	2.5389	3.4731	2.8026	2.8026	1.5182	2.6252	2.6252	3.3478	3.3478	2.7341	2.7341	3.4666
H2	1.0953		1.7721	1.7773	2.7940	3.7858	3.1578	2.6117	2.1598	2.9759	3.5474	3.4079	4.2650	3.0132	3.7686	4.1343
H3	1.0953	1.7721		1.7773	2.7940	3.7858	2.6117	3.1578	2.1598	3.5474	2.9759	4.2650	3.4079	3.7686	3.0132	4.1343
H4	1.0946	1.7773	1.7773		3.4885	4.3002	3.8030	3.8030	2.1656	2.8317	2.8317	3.7155	3.7155	2.5443	2.5443	3.5815
C5	2.5389	2.7940	2.7940	3.4885		1.0947	1.0951	1.0951	1.5261	2.5259	2.5259	2.6485	2.6485	3.4509	3.4509	2.9980
H6	3.4731	3.7858	3.7858	4.3002	1.0947		1.7816	1.7816	2.1514	2.6430	2.6430	2.5582	2.5582	3.7144	3.7144	2.7341
H7	2.8026	3.1578	2.6117	3.8030	1.0951	1.7816		1.7778	2.1692	3.4741	2.8861	3.7275	2.7013	4.3328	3.6924	3.7380
H8	2.8026	2.6117	3.1578	3.8030	1.0951	1.7816	1.7778		2.1692	2.8861	3.4741	2.7013	3.7275	3.6924	4.3328	3.7380
C9	1.5182	2.1598	2.1598	2.1656	1.5261	2.1514	2.1692	2.1692		1.5524	1.5524	2.2643	2.2643	2.2219	2.2219	2.1667
C10	2.6252	2.9759	3.5474	2.8317	2.5259	2.6430	3.4741	2.8861	1.5524		2.1036	1.0915	2.9997	1.0951	2.6983	1.4982
C11	2.6252	3.5474	2.9759	2.8317	2.5259	2.6430	2.8861	3.4741	1.5524	2.1036		2.9997	1.0915	2.6983	1.0951	1.4982
H12	3.3478	3.4079	4.2650	3.7155	2.6485	2.5582	3.7275	2.7013	2.2643	1.0915	2.9997		3.7111	1.8044	3.7397	2.1614
H13	3.3478	4.2650	3.4079	3.7155	2.6485	2.5582	2.7013	3.7275	2.2643	2.9997	1.0915	3.7111		3.7397	1.8044	2.1614
H14	2.7341	3.0132	3.7686	2.5443	3.4509	3.7144	4.3328	3.6924	2.2219	1.0951	2.6983	1.8044	3.7397		2.8912	2.1570
H15	2.7341	3.7686	3.0132	2.5443	3.4509	3.7144	3.6924	4.3328	2.2219	2.6983	1.0951	3.7397	1.8044	2.8912		2.1570
O16	3.4666	4.1343	4.1343	3.5815	2.9980	2.7341	3.7380	3.7380	2.1667	1.4982	1.4982	2.1614	2.1614	2.1570	2.1570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	C5	113.023	C1	C9	C10	117.496
C1	C9	C11	117.496	H2	C1	H3	107.994
H2	C1	H4	108.509	H2	C1	C9	110.415
H3	C1	H4	108.509	H3	C1	C9	110.415
H4	C1	C9	110.915	C5	C9	C10	110.267
C5	C9	C11	110.267	H6	C5	H7	108.897
H6	C5	H8	108.897	H6	C5	C9	109.241
H7	C5	H8	108.522	H7	C5	C9	110.622
H8	C5	C9	110.622	C9	C10	H12	116.758
C9	C10	H14	112.982	C9	C10	O16	90.495
C9	C11	H13	116.758	C9	C11	H15	112.982
C9	C11	O16	90.495	C10	C9	C11	85.298
C10	O16	C11	89.183	H12	C10	H14	111.228
H12	C10	O16	112.205	H13	C11	H15	111.228
H13	C11	O16	112.205	H14	C10	O16	111.615
H15	C11	O16	111.615

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

using model chemistry: B1B95/3-21G

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	C	-0.581
2	H	0.210
3	H	0.210
4	H	0.206
5	C	-0.551
6	H	0.220
7	H	0.205
8	H	0.205
9	C	-0.283
10	C	-0.100
11	C	-0.100
12	H	0.209
13	H	0.209
14	H	0.203
15	H	0.203
16	O	-0.466

	x	y	z	Total
	-0.659	2.210	0.000	2.306
CHELPG
AIM
ESP

	x	y	z
x	7.383	0.033	0.000
y	0.033	7.273	0.000
z	0.000	0.000	7.902

<r²>	158.550
(<r²>)^1/2	12.592

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

using model chemistry: B1B95/3-21G

States and conformations

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