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	hartrees
Energy at 0K	-304.892997
Energy at 298.15K	-304.897687
Nuclear repulsion energy	215.767677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3173	0.99
2	A	3130	3086	0.25
3	A	3085	3040	0.58
4	A	3031	2988	2.12
5	A	1924	1896	315.89
6	A	1738	1713	243.16
7	A	1420	1400	10.57
8	A	1393	1373	2.73
9	A	1240	1222	76.74
10	A	1172	1155	2.36
11	A	1084	1068	0.49
12	A	994	979	116.35
13	A	969	955	9.89
14	A	956	942	3.82
15	A	874	862	126.63
16	A	804	793	58.16
17	A	801	789	28.85
18	A	712	702	0.15
19	A	655	646	0.35
20	A	509	502	2.83
21	A	490	483	2.04
22	A	446	440	4.11
23	A	306	301	0.56
24	A	134	132	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	-2.277	-0.154	-0.000
H2	-2.705	-1.159	-0.000
H3	-2.953	0.702	-0.000
O4	0.037	-0.980	0.000
C5	1.057	-0.002	-0.000
O6	2.243	-0.186	0.000
C7	0.052	1.156	0.000
H8	0.087	1.791	-0.900
H9	0.087	1.791	0.901
C10	-0.959	0.034	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0921	1.0915	2.4570	3.3371	4.5197	2.6715	3.1907	3.1908	1.3314
H2	1.0921		1.8777	2.7478	3.9354	5.0423	3.5993	4.1599	4.1599	2.1146
H3	1.0915	1.8777		3.4316	4.0719	5.2716	3.0390	3.3527	3.3528	2.1038
O4	2.4570	2.7478	3.4316		1.4127	2.3443	2.1363	2.9140	2.9139	1.4214
C5	3.3371	3.9354	4.0719	1.4127		1.1999	1.5340	2.2286	2.2286	2.0160
O6	4.5197	5.0423	5.2716	2.3443	1.1999		2.5694	3.0600	3.0599	3.2090
C7	2.6715	3.5993	3.0390	2.1363	1.5340	2.5694		1.1022	1.1022	1.5097
H8	3.1907	4.1599	3.3527	2.9140	2.2286	3.0600	1.1022		1.8009	2.2339
H9	3.1908	4.1599	3.3528	2.9139	2.2286	3.0599	1.1022	1.8009		2.2339
C10	1.3314	2.1146	2.1038	1.4214	2.0160	3.2090	1.5097	2.2339	2.2339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.358	C1	C10	C7	140.115
H2	C1	H3	118.611	H2	C1	C10	121.193
H3	C1	C10	120.195	O4	C5	O6	127.428
O4	C5	C7	92.839	O4	C10	C7	93.527
C5	O4	C10	90.683	C5	C7	H8	114.430
C5	C7	H9	114.431	C5	C7	C10	82.951
O6	C5	C7	139.733	H8	C7	H9	109.561
H8	C7	C10	116.721	H9	C7	C10	116.720

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

using model chemistry: PBEPBE/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	-0.483
2	H	0.177
3	H	0.168
4	O	-0.413
5	C	0.573
6	O	-0.391
7	C	-0.524
8	H	0.220
9	H	0.220
10	C	0.453

	x	y	z	Total
	-2.435	2.183	-0.000	3.270
CHELPG
AIM
ESP

	x	y	z
x	10.601	0.333	0.000
y	0.333	5.966	0.000
z	0.000	0.000	3.635

<r²>	147.151
(<r²>)^1/2	12.131

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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