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	hartrees
Energy at 0K	-305.243918
Energy at 298.15K	-305.248770
Nuclear repulsion energy	217.014016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	3154	1.10
2	A	3190	3065	0.35
3	A	3147	3024	0.94
4	A	3093	2972	2.23
5	A	1978	1901	352.26
6	A	1786	1716	263.26
7	A	1458	1400	9.51
8	A	1430	1374	3.85
9	A	1276	1226	89.49
10	A	1214	1166	0.49
11	A	1115	1072	0.75
12	A	1033	992	150.71
13	A	993	954	6.81
14	A	987	948	5.23
15	A	907	871	146.19
16	A	859	825	52.35
17	A	819	787	17.32
18	A	736	707	0.00
19	A	677	651	0.74
20	A	526	505	2.95
21	A	510	490	3.81
22	A	459	441	3.89
23	A	317	305	0.79
24	A	137	132	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	-2.266	-0.156	-0.000
H2	-2.688	-1.154	-0.000
H3	-2.938	0.693	-0.000
O4	0.041	-0.969	0.000
C5	1.053	-0.005	0.000
O6	2.229	-0.187	-0.000
C7	0.052	1.154	0.000
H8	0.087	1.781	-0.895
H9	0.087	1.781	0.895
C10	-0.957	0.032	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0832	1.0828	2.4459	3.3226	4.4954	2.6625	3.1766	3.1765	1.3218
H2	1.0832		1.8635	2.7348	3.9134	5.0114	3.5822	4.1370	4.1369	2.0974
H3	1.0828	1.8635		3.4111	4.0518	5.2416	3.0252	3.3369	3.3371	2.0880
O4	2.4459	2.7348	3.4111		1.3981	2.3244	2.1236	2.8929	2.8927	1.4136
C5	3.3226	3.9134	4.0518	1.3981		1.1900	1.5321	2.2195	2.2192	2.0111
O6	4.4954	5.0114	5.2416	2.3244	1.1900		2.5572	3.0434	3.0434	3.1943
C7	2.6625	3.5822	3.0252	2.1236	1.5321	2.5572		1.0931	1.0931	1.5097
H8	3.1766	4.1370	3.3369	2.8929	2.2195	3.0434	1.0931		1.7894	2.2256
H9	3.1765	4.1369	3.3371	2.8927	2.2192	3.0434	1.0931	1.7894		2.2254
C10	1.3218	2.0974	2.0880	1.4136	2.0111	3.1943	1.5097	2.2256	2.2254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.763	C1	C10	C7	140.118
H2	C1	H3	118.715	H2	C1	C10	121.082
H3	C1	C10	120.203	O4	C5	O6	127.636
O4	C5	C7	92.781	O4	C10	C7	93.119
C5	O4	C10	91.326	C5	C7	H8	114.410
C5	C7	H9	114.384	C5	C7	C10	82.773
O6	C5	C7	139.583	H8	C7	H9	109.869
H8	C7	C10	116.634	H9	C7	C10	116.610

All results from a given calculation for C₄H₄O₂ (2-Oxetanone, 4-methylene-)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.345
2	H	0.125
3	H	0.115
4	O	-0.455
5	C	0.606
6	O	-0.419
7	C	-0.384
8	H	0.167
9	H	0.167
10	C	0.424

	x	y	z	Total
	-2.593	2.306	0.000	3.470
CHELPG
AIM
ESP

	x	y	z
x	10.255	0.345	-0.001
y	0.345	5.787	-0.000
z	-0.001	-0.000	3.602

<r²>	145.934
(<r²>)^1/2	12.080

All results from a given calculation for C4H4O2 (2-Oxetanone, 4-methylene-)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₄H₄O₂ (2-Oxetanone, 4-methylene-)