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	hartrees
Energy at 0K	-304.974084
Energy at 298.15K	-304.978799
Nuclear repulsion energy	216.272856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3171	0.69
2	A	3107	3079	0.35
3	A	3070	3042	0.48
4	A	3016	2989	2.33
5	A	1912	1895	347.35
6	A	1720	1704	272.84
7	A	1387	1374	12.44
8	A	1364	1352	4.05
9	A	1225	1214	78.97
10	A	1157	1146	3.18
11	A	1077	1067	0.90
12	A	978	969	68.80
13	A	958	950	42.23
14	A	942	933	2.64
15	A	859	851	151.63
16	A	808	801	55.90
17	A	794	786	39.00
18	A	709	702	0.40
19	A	656	650	0.15
20	A	513	508	2.72
21	A	491	486	3.12
22	A	445	441	5.60
23	A	307	304	0.56
24	A	132	131	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	-2.272	-0.152	-0.000
H2	-2.699	-1.155	-0.000
H3	-2.942	0.706	-0.000
O4	0.038	-0.979	0.000
C5	1.059	0.000	0.000
O6	2.236	-0.184	-0.000
C7	0.050	1.153	0.000
H8	0.084	1.784	-0.899
H9	0.083	1.783	0.900
C10	-0.957	0.030	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0895	1.0890	2.4541	3.3343	4.5087	2.6635	3.1787	3.1786	1.3279
H2	1.0895		1.8767	2.7425	3.9309	5.0298	3.5887	4.1452	4.1449	2.1064
H3	1.0890	1.8767		3.4242	4.0628	5.2547	3.0253	3.3354	3.3355	2.0977
O4	2.4541	2.7425	3.4242		1.4147	2.3378	2.1322	2.9061	2.9057	1.4172
C5	3.3343	3.9309	4.0628	1.4147		1.1921	1.5315	2.2225	2.2222	2.0156
O6	4.5087	5.0298	5.2547	2.3378	1.1921		2.5626	3.0517	3.0517	3.2003
C7	2.6635	3.5887	3.0253	2.1322	1.5315	2.5626		1.0991	1.0992	1.5081
H8	3.1787	4.1452	3.3354	2.9061	2.2225	3.0517	1.0991		1.7993	2.2287
H9	3.1786	4.1449	3.3355	2.9057	2.2222	3.0517	1.0992	1.7993		2.2284
C10	1.3279	2.1064	2.0977	1.4172	2.0156	3.2003	1.5081	2.2287	2.2284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.725	C1	C10	C7	139.740
H2	C1	H3	118.966	H2	C1	C10	120.918
H3	C1	C10	120.116	O4	C5	O6	127.285
O4	C5	C7	92.638	O4	C10	C7	93.535
C5	O4	C10	90.756	C5	C7	H8	114.311
C5	C7	H9	114.283	C5	C7	C10	83.072
O6	C5	C7	140.078	H8	C7	H9	109.873
H8	C7	C10	116.605	H9	C7	C10	116.576

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

using model chemistry: PBEPBE/6-311G**

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	-0.231
2	H	0.133
3	H	0.124
4	O	-0.228
5	C	0.290
6	O	-0.237
7	C	-0.346
8	H	0.181
9	H	0.181
10	C	0.133

	x	y	z	Total
	-2.373	2.235	0.000	3.260
CHELPG
AIM
ESP

	x	y	z
x	11.002	0.344	0.000
y	0.344	6.274	0.000
z	0.000	0.000	4.175

<r²>	146.908
(<r²>)^1/2	12.121

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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