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	hartrees
Energy at 0K	-56.822386
Energy at 298.15K	-56.827173
Nuclear repulsion energy	110.982963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3164	4.48
2	A	3140	3060	0.36
3	A	3123	3044	4.25
4	A	3057	2979	4.95
5	A	1845	1798	176.08
6	A	1717	1673	436.75
7	A	1467	1429	16.79
8	A	1434	1397	1.96
9	A	1241	1209	18.61
10	A	1217	1186	57.29
11	A	1123	1094	0.51
12	A	988	963	138.13
13	A	985	960	7.31
14	A	954	930	27.34
15	A	913	890	75.16
16	A	863	841	108.31
17	A	776	757	89.53
18	A	724	705	0.07
19	A	652	635	1.28
20	A	499	486	4.14
21	A	495	482	1.75
22	A	445	434	9.80
23	A	304	296	0.59
24	A	135	131	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.306	-0.149	-0.000
H2	-2.732	-1.148	-0.001
H3	-2.980	0.702	-0.001
O4	0.043	-1.016	0.001
C5	1.090	-0.010	-0.000
O6	2.299	-0.190	-0.001
C7	0.062	1.155	0.000
H8	0.102	1.782	-0.895
H9	0.102	1.782	0.896
C10	-0.981	0.035	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0857	1.0859	2.5041	3.3987	4.6049	2.7030	3.2138	3.2140	1.3372
H2	1.0857		1.8666	2.7780	3.9873	5.1207	3.6201	4.1731	4.1731	2.1122
H3	1.0859	1.8666		3.4777	4.1322	5.3540	3.0758	3.3864	3.3868	2.1075
O4	2.5041	2.7780	3.4777		1.4515	2.4019	2.1707	2.9388	2.9381	1.4675
C5	3.3987	3.9873	4.1322	1.4515		1.2221	1.5536	2.2340	2.2340	2.0718
O6	4.6049	5.1207	5.3540	2.4019	1.2221		2.6099	3.0850	3.0852	3.2878
C7	2.7030	3.6201	3.0758	2.1707	1.5536	2.6099		1.0943	1.0944	1.5307
H8	3.2138	4.1731	3.3864	2.9388	2.2340	3.0850	1.0943		1.7914	2.2426
H9	3.2140	4.1731	3.3868	2.9381	2.2340	3.0852	1.0944	1.7914		2.2426
C10	1.3372	2.1122	2.1075	1.4675	2.0718	3.2878	1.5307	2.2426	2.2426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.394	C1	C10	C7	140.861
H2	C1	H3	118.525	H2	C1	C10	120.974
H3	C1	C10	120.501	O4	C5	O6	127.675
O4	C5	C7	92.428	O4	C10	C7	92.745
C5	O4	C10	90.428	C5	C7	H8	113.932
C5	C7	H9	113.938	C5	C7	C10	84.400
O6	C5	C7	139.897	H8	C7	H9	109.870
H8	C7	C10	116.386	H9	C7	C10	116.387

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.519
2	H	0.157
3	H	0.160
4	O	-0.210
5	C	0.083
6	O	-0.044
7	C	-0.441
8	H	0.212
9	H	0.212
10	C	0.389

	x	y	z	Total
	-3.163	3.081	0.000	4.415
CHELPG
AIM
ESP

	x	y	z
x	11.544	0.348	-0.001
y	0.348	6.156	0.007
z	-0.001	0.007	4.153

<r²>	122.004
(<r²>)^1/2	11.046

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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