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	hartrees
Energy at 0K	-303.623053
Energy at 298.15K	-303.627798
Nuclear repulsion energy	217.971183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3227	3167	0.01
2	A	3134	3075	3.05
3	A	3095	3037	0.33
4	A	3038	2981	1.39
5	A	1980	1943	333.11
6	A	1781	1748	255.54
7	A	1395	1368	16.53
8	A	1369	1344	3.75
9	A	1271	1248	85.13
10	A	1159	1138	6.64
11	A	1075	1055	0.44
12	A	1027	1008	132.94
13	A	997	978	33.28
14	A	956	938	6.49
15	A	903	886	89.97
16	A	818	803	9.29
17	A	807	792	61.63
18	A	716	702	0.51
19	A	671	658	0.82
20	A	517	507	3.52
21	A	493	483	2.41
22	A	452	443	5.02
23	A	307	302	0.46
24	A	138	136	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-2.254	-0.155	-0.000
H2	-2.675	-1.163	-0.000
H3	-2.933	0.700	-0.000
O4	0.037	-0.964	0.000
C5	1.043	-0.004	-0.000
O6	2.220	-0.188	0.000
C7	0.053	1.145	0.000
H8	0.091	1.780	-0.900
H9	0.091	1.780	0.900
C10	-0.946	0.034	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0929	1.0919	2.4292	3.3006	4.4741	2.6481	3.1706	3.1707	1.3216
H2	1.0929		1.8811	2.7191	3.8949	4.9914	3.5738	4.1383	4.1383	2.1034
H3	1.0919	1.8811		3.4042	4.0383	5.2293	3.0195	3.3350	3.3351	2.0960
O4	2.4292	2.7191	3.4042		1.3908	2.3170	2.1087	2.8886	2.8884	1.4003
C5	3.3006	3.8949	4.0383	1.3908		1.1912	1.5165	2.2139	2.2139	1.9894
O6	4.4741	4.9914	5.2293	2.3170	1.1912		2.5441	3.0365	3.0364	3.1737
C7	2.6481	3.5738	3.0195	2.1087	1.5165	2.5441		1.1025	1.1026	1.4941
H8	3.1706	4.1383	3.3350	2.8886	2.2139	3.0365	1.1025		1.8005	2.2214
H9	3.1707	4.1383	3.3351	2.8884	2.2139	3.0364	1.1026	1.8005		2.2214
C10	1.3216	2.1034	2.0960	1.4003	1.9894	3.1737	1.4941	2.2214	2.2214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.340	C1	C10	C7	140.186
H2	C1	H3	118.855	H2	C1	C10	120.889
H3	C1	C10	120.256	O4	C5	O6	127.456
O4	C5	C7	92.888	O4	C10	C7	93.473
C5	O4	C10	90.920	C5	C7	H8	114.483
C5	C7	H9	114.484	C5	C7	C10	82.719
O6	C5	C7	139.656	H8	C7	H9	109.473
H8	C7	C10	116.824	H9	C7	C10	116.822

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

using model chemistry: LSDA/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	-0.514
2	H	0.190
3	H	0.181
4	O	-0.380
5	C	0.524
6	O	-0.362
7	C	-0.572
8	H	0.240
9	H	0.240
10	C	0.454

	x	y	z	Total
	-2.519	2.213	-0.000	3.353
CHELPG
AIM
ESP

	x	y	z
x	10.421	0.333	0.000
y	0.333	5.902	0.000
z	0.000	0.000	3.623

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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