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	hartrees
Energy at 0K	-56.808903
Energy at 298.15K	-56.813624
Nuclear repulsion energy	110.551699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3172	6.58
2	A	3181	3080	0.15
3	A	3170	3070	6.87
4	A	3100	3002	6.16
5	A	1859	1800	131.90
6	A	1738	1683	459.90
7	A	1464	1417	19.80
8	A	1429	1384	1.43
9	A	1239	1200	15.11
10	A	1211	1173	69.21
11	A	1119	1084	0.18
12	A	988	957	152.25
13	A	980	949	13.85
14	A	954	924	22.00
15	A	919	890	105.91
16	A	867	839	96.38
17	A	781	756	80.90
18	A	714	692	0.15
19	A	655	634	1.94
20	A	497	482	0.85
21	A	496	480	4.71
22	A	439	425	10.46
23	A	296	286	0.46
24	A	136	132	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-2.323	-0.150	-0.000
H2	-2.749	-1.157	-0.000
H3	-2.998	0.708	-0.000
O4	0.046	-1.016	0.000
C5	1.095	-0.010	0.000
O6	2.306	-0.194	-0.000
C7	0.065	1.160	0.000
H8	0.106	1.789	-0.900
H9	0.106	1.789	0.901
C10	-0.979	0.033	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0926	1.0915	2.5220	3.4209	4.6290	2.7242	3.2360	3.2361	1.3565
H2	1.0926		1.8809	2.7978	4.0108	5.1452	3.6448	4.1995	4.1996	2.1325
H3	1.0915	1.8809		3.4978	4.1554	5.3797	3.0964	3.4079	3.4081	2.1284
O4	2.5220	2.7978	3.4978		1.4533	2.4049	2.1760	2.9466	2.9464	1.4668
C5	3.4209	4.0108	4.1554	1.4533		1.2245	1.5589	2.2421	2.2420	2.0745
O6	4.6290	5.1452	5.3797	2.4049	1.2245		2.6177	3.0953	3.0953	3.2927
C7	2.7242	3.6448	3.0964	2.1760	1.5589	2.6177		1.0991	1.0991	1.5362
H8	3.2360	4.1995	3.4079	2.9466	2.2421	3.0953	1.0991		1.8008	2.2517
H9	3.2361	4.1996	3.4081	2.9464	2.2420	3.0953	1.0991	1.8008		2.2516
C10	1.3565	2.1325	2.1284	1.4668	2.0745	3.2927	1.5362	2.2517	2.2516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.535	C1	C10	C7	140.618
H2	C1	H3	118.896	H2	C1	C10	120.704
H3	C1	C10	120.400	O4	C5	O6	127.607
O4	C5	C7	92.440	O4	C10	C7	92.847
C5	O4	C10	90.541	C5	C7	H8	113.907
C5	C7	H9	113.898	C5	C7	C10	84.172
O6	C5	C7	139.953	H8	C7	H9	110.012
H8	C7	C10	116.421	H9	C7	C10	116.413

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

using model chemistry: B3LYP/CEP-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	-0.398
2	H	0.205
3	H	0.227
4	O	-0.145
5	C	-0.196
6	O	0.013
7	C	-0.069
8	H	0.202
9	H	0.202
10	C	-0.042

	x	y	z	Total
	-3.257	3.139	0.000	4.523
CHELPG
AIM
ESP

	x	y	z
x	11.412	0.336	0.000
y	0.336	5.720	0.001
z	0.000	0.001	3.580

<r²>	122.812
(<r²>)^1/2	11.082

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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