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	hartrees
Energy at 0K	-305.244449
Energy at 298.15K	-305.249359
HF Energy	-305.244449
Nuclear repulsion energy	218.540623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3295	3146	0.20
2	A	3199	3055	1.24
3	A	3176	3033	0.01
4	A	3114	2974	1.58
5	A	1998	1908	425.98
6	A	1802	1721	348.16
7	A	1448	1383	12.77
8	A	1424	1360	5.43
9	A	1297	1239	101.61
10	A	1225	1170	1.25
11	A	1129	1079	1.36
12	A	1055	1008	181.60
13	A	1005	960	10.81
14	A	991	946	5.94
15	A	926	884	166.27
16	A	882	843	63.58
17	A	834	796	10.49
18	A	741	708	0.10
19	A	689	658	0.90
20	A	541	516	3.51
21	A	510	487	4.89
22	A	454	434	7.02
23	A	328	313	0.85
24	A	125	119	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	-2.249	-0.155	-0.000
H2	-2.666	-1.152	-0.000
H3	-2.916	0.695	-0.000
O4	0.041	-0.964	-0.000
C5	1.044	-0.006	0.000
O6	2.211	-0.185	-0.000
C7	0.053	1.148	0.000
H8	0.090	1.768	-0.894
H9	0.090	1.768	0.894
C10	-0.951	0.033	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0809	1.0803	2.4288	3.2962	4.4595	2.6454	3.1574	3.1574	1.3115
H2	1.0809		1.8631	2.7140	3.8832	4.9718	3.5619	4.1140	4.1140	2.0846
H3	1.0803	1.8631		3.3910	4.0220	5.2020	3.0044	3.3155	3.3155	2.0742
O4	2.4288	2.7140	3.3910		1.3869	2.3050	2.1123	2.8754	2.8754	1.4062
C5	3.2962	3.8832	4.0220	1.3869		1.1802	1.5211	2.2041	2.2041	1.9952
O6	4.4595	4.9718	5.2020	2.3050	1.1802		2.5361	3.0187	3.0187	3.1689
C7	2.6454	3.5619	3.0044	2.1123	1.5211	2.5361		1.0888	1.0888	1.5010
H8	3.1574	4.1140	3.3155	2.8754	2.2041	3.0187	1.0888		1.7884	2.2127
H9	3.1574	4.1140	3.3155	2.8754	2.2041	3.0187	1.0888	1.7884		2.2127
C10	1.3115	2.0846	2.0742	1.4062	1.9952	3.1689	1.5010	2.2127	2.2127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.651	C1	C10	C7	140.205
H2	C1	H3	119.105	H2	C1	C10	120.938
H3	C1	C10	119.958	O4	C5	O6	127.577
O4	C5	C7	93.052	O4	C10	C7	93.144
C5	O4	C10	91.177	C5	C7	H8	114.220
C5	C7	H9	114.219	C5	C7	C10	82.627
O6	C5	C7	139.371	H8	C7	H9	110.423
H8	C7	C10	116.481	H9	C7	C10	116.480

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

using model chemistry: wB97X-D/TZVP

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	-0.257
2	H	0.148
3	H	0.144
4	O	-0.141
5	C	0.196
6	O	-0.267
7	C	-0.232
8	H	0.182
9	H	0.182
10	C	0.043

	x	y	z	Total
	-2.793	2.483	0.000	3.737
CHELPG
AIM
ESP

	x	y	z
x	10.920	0.329	0.000
y	0.329	6.279	0.000
z	0.000	0.000	4.705

<r²>	144.536
(<r²>)^1/2	12.022

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

using model chemistry: wB97X-D/TZVP

States and conformations

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