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	hartrees
Energy at 0K	-303.467214
Energy at 298.15K	-303.471845
Nuclear repulsion energy	211.691685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3176	1.49
2	A	3111	3094	0.27
3	A	3072	3055	1.13
4	A	3019	3003	2.04
5	A	1877	1866	186.21
6	A	1704	1694	238.77
7	A	1453	1445	8.95
8	A	1442	1434	4.25
9	A	1205	1198	16.44
10	A	1177	1170	32.40
11	A	1130	1124	0.07
12	A	938	933	6.61
13	A	923	918	54.86
14	A	904	899	14.48
15	A	853	848	66.57
16	A	800	796	83.51
17	A	714	710	115.37
18	A	708	704	0.05
19	A	634	631	0.35
20	A	499	496	1.58
21	A	492	490	2.55
22	A	440	437	5.72
23	A	297	296	0.94
24	A	140	139	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	-0.136	-0.000
H2	-2.755	-1.131	-0.001
H3	-2.974	0.727	-0.001
O4	0.038	-1.031	0.001
C5	1.095	0.015	-0.000
O6	2.293	-0.158	-0.001
C7	0.032	1.158	0.000
H8	0.055	1.781	-0.906
H9	0.055	1.780	0.908
C10	-0.991	0.023	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0895	1.0896	2.5125	3.4078	4.6027	2.6752	3.1758	3.1760	1.3277
H2	1.0895		1.8707	2.7949	4.0167	5.1409	3.6060	4.1462	4.1462	2.1072
H3	1.0896	1.8707		3.4878	4.1307	5.3410	3.0364	3.3320	3.3325	2.1039
O4	2.5125	2.7949	3.4878		1.4871	2.4180	2.1892	2.9549	2.9540	1.4734
C5	3.4078	4.0167	4.1307	1.4871		1.2107	1.5609	2.2408	2.2410	2.0864
O6	4.6027	5.1409	5.3410	2.4180	1.2107		2.6166	3.0971	3.0973	3.2895
C7	2.6752	3.6060	3.0364	2.1892	1.5609	2.6166		1.1002	1.1002	1.5282
H8	3.1758	4.1462	3.3320	2.9549	2.2408	3.0971	1.1002		1.8135	2.2375
H9	3.1760	4.1462	3.3325	2.9540	2.2410	3.0973	1.1002	1.8135		2.2376
C10	1.3277	2.1072	2.1039	1.4734	2.0864	3.2895	1.5282	2.2375	2.2376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.446	C1	C10	C7	138.914
H2	C1	H3	118.297	H2	C1	C10	121.015
H3	C1	C10	120.687	O4	C5	O6	127.050
O4	C5	C7	91.783	O4	C10	C7	93.641
C5	O4	C10	89.614	C5	C7	H8	113.587
C5	C7	H9	113.598	C5	C7	C10	84.962
O6	C5	C7	141.167	H8	C7	H9	111.007
H8	C7	C10	115.739	H9	C7	C10	115.745

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

using model chemistry: BLYP/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	-0.452
2	H	0.200
3	H	0.187
4	O	-0.407
5	C	0.580
6	O	-0.406
7	C	-0.511
8	H	0.243
9	H	0.243
10	C	0.324

	x	y	z	Total
	-2.192	2.444	0.000	3.282
CHELPG
AIM
ESP

<r²>	151.972
(<r²>)^1/2	12.328

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

using model chemistry: BLYP/3-21G

States and conformations

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