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	hartrees
Energy at 0K	-305.155425
Energy at 298.15K	-305.160334
HF Energy	-305.155425
Nuclear repulsion energy	217.917902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3311	3154	0.49
2	A	3213	3061	0.77
3	A	3185	3034	0.00
4	A	3120	2972	1.67
5	A	1996	1901	426.02
6	A	1809	1723	356.91
7	A	1450	1382	12.88
8	A	1426	1359	5.87
9	A	1304	1243	103.70
10	A	1228	1170	0.52
11	A	1127	1074	1.29
12	A	1067	1017	206.35
13	A	1010	963	9.42
14	A	992	945	5.53
15	A	933	889	141.56
16	A	883	841	69.73
17	A	837	797	8.82
18	A	739	704	0.09
19	A	687	654	1.02
20	A	534	508	4.05
21	A	509	485	5.90
22	A	454	433	7.04
23	A	324	309	0.91
24	A	129	123	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	-2.258	-0.156	-0.000
H2	-2.676	-1.155	-0.000
H3	-2.928	0.695	0.000
O4	0.040	-0.964	-0.000
C5	1.046	-0.006	0.000
O6	2.219	-0.188	-0.000
C7	0.055	1.150	0.000
H8	0.093	1.772	-0.896
H9	0.093	1.772	0.896
C10	-0.953	0.034	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0833	1.0828	2.4362	3.3067	4.4773	2.6561	3.1695	3.1695	1.3189
H2	1.0833		1.8669	2.7234	3.8950	4.9904	3.5741	4.1280	4.1280	2.0939
H3	1.0828	1.8669		3.4003	4.0345	5.2221	3.0170	3.3295	3.3295	2.0827
O4	2.4362	2.7234	3.4003		1.3884	2.3133	2.1147	2.8803	2.8803	1.4079
C5	3.3067	3.8950	4.0345	1.3884		1.1878	1.5229	2.2082	2.2082	1.9985
O6	4.4773	4.9904	5.2221	2.3133	1.1878		2.5446	3.0280	3.0280	3.1797
C7	2.6561	3.5741	3.0170	2.1147	1.5229	2.5446		1.0917	1.0917	1.5039
H8	3.1695	4.1280	3.3295	2.8803	2.2082	3.0280	1.0917		1.7925	2.2178
H9	3.1695	4.1280	3.3295	2.8803	2.2082	3.0280	1.0917	1.7925		2.2178
C10	1.3189	2.0939	2.0827	1.4079	1.9985	3.1797	1.5039	2.2178	2.2178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.585	C1	C10	C7	140.331
H2	C1	H3	119.062	H2	C1	C10	120.997
H3	C1	C10	119.941	O4	C5	O6	127.607
O4	C5	C7	93.046	O4	C10	C7	93.084
C5	O4	C10	91.233	C5	C7	H8	114.235
C5	C7	H9	114.234	C5	C7	C10	82.637
O6	C5	C7	139.347	H8	C7	H9	110.364
H8	C7	C10	116.502	H9	C7	C10	116.501

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.431
2	H	0.178
3	H	0.166
4	O	-0.327
5	C	0.530
6	O	-0.494
7	C	-0.232
8	H	0.216
9	H	0.216
10	C	0.179

	x	y	z	Total
	-2.933	2.547	-0.001	3.884
CHELPG
AIM
ESP

	x	y	z
x	11.207	0.316	0.001
y	0.316	6.453	-0.000
z	0.001	-0.000	4.901

<r²>	145.400
(<r²>)^1/2	12.058

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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