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	hartrees
Energy at 0K	-305.349317
Energy at 298.15K	-305.354179
HF Energy	-305.349317
Nuclear repulsion energy	217.520524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3148	0.40
2	A	3171	3061	0.72
3	A	3136	3027	0.18
4	A	3084	2977	2.15
5	A	1953	1885	396.42
6	A	1765	1704	325.85
7	A	1450	1400	11.54
8	A	1424	1374	4.24
9	A	1259	1216	89.71
10	A	1215	1173	1.17
11	A	1120	1081	1.38
12	A	1019	984	135.79
13	A	986	952	6.92
14	A	986	951	3.95
15	A	886	856	189.79
16	A	869	839	61.29
17	A	815	786	28.43
18	A	732	707	0.09
19	A	677	653	0.57
20	A	530	512	2.90
21	A	510	492	3.94
22	A	457	441	7.10
23	A	321	310	0.72
24	A	131	126	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-2.212	-0.089	-0.002
H2	-2.693	-1.011	-0.001
H3	-2.776	0.781	-0.002
O4	0.043	-1.007	0.003
C5	0.974	-0.025	0.001
O6	2.179	-0.108	-0.003
C7	0.050	1.087	0.002
H8	0.068	1.690	-0.905
H9	0.071	1.687	0.910
C10	-0.886	-0.012	-0.001

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0395	1.0370	2.4350	3.1868	4.3917	2.5505	3.0300	3.0334	1.3284
H2	1.0395		1.7941	2.7353	3.7967	4.9549	3.4537	3.9666	3.9684	2.0643
H3	1.0370	1.7941		3.3386	3.8357	5.0348	2.8435	3.1197	3.1243	2.0496
O4	2.4350	2.7353	3.3386		1.3537	2.3182	2.0948	2.8463	2.8431	1.3619
C5	3.1868	3.7967	3.8357	1.3537		1.2084	1.4453	2.1405	2.1378	1.8601
O6	4.3917	4.9549	5.0348	2.3182	1.2084		2.4413	2.9161	2.9151	3.0671
C7	2.5505	3.4537	2.8435	2.0948	1.4453	2.4413		1.0887	1.0887	1.4441
H8	3.0300	3.9666	3.1197	2.8463	2.1405	2.9161	1.0887		1.8148	2.1504
H9	3.0334	3.9684	3.1243	2.8431	2.1378	2.9151	1.0887	1.8148		2.1521
C10	1.3284	2.0643	2.0496	1.3619	1.8601	3.0671	1.4441	2.1504	2.1521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	129.673	C1	C10	C7	133.787
H2	C1	H3	119.540	H2	C1	C10	120.853
H3	C1	C10	119.607	O4	C5	O6	129.511
O4	C5	C7	96.849	O4	C10	C7	96.540
C5	O4	C10	86.466	C5	C7	H8	114.550
C5	C7	H9	114.320	C5	C7	C10	80.144
O6	C5	C7	133.640	H8	C7	H9	112.923
H8	C7	C10	115.504	H9	C7	C10	115.642

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

using model chemistry: B3LYP/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	-0.212
2	H	0.135
3	H	0.133
4	O	-0.150
5	C	0.197
6	O	-0.250
7	C	-0.255
8	H	0.177
9	H	0.177
10	C	0.050

	x	y	z	Total
	-2.771	2.493	0.001	3.728
CHELPG
AIM
ESP

	x	y	z
x	11.173	0.332	0.001
y	0.332	6.416	0.000
z	0.001	0.000	4.740

<r²>	145.987
(<r²>)^1/2	12.083

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

using model chemistry: B3LYP/TZVP

States and conformations

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