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	hartrees
Energy at 0K	-305.185322
Energy at 298.15K	-305.190107
Nuclear repulsion energy	213.247171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3170	2.40
2	A	3189	3065	0.88
3	A	3175	3052	2.69
4	A	3106	2985	3.23
5	A	1885	1812	197.54
6	A	1755	1686	437.88
7	A	1474	1417	24.07
8	A	1446	1390	2.05
9	A	1250	1201	21.84
10	A	1224	1177	61.93
11	A	1123	1079	0.14
12	A	996	957	29.17
13	A	990	952	112.93
14	A	964	926	43.07
15	A	946	909	83.14
16	A	871	837	99.87
17	A	787	756	92.89
18	A	730	701	0.02
19	A	661	635	1.12
20	A	507	488	4.47
21	A	505	486	3.12
22	A	453	435	9.12
23	A	308	296	0.42
24	A	137	132	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	-2.306	-0.143	-0.000
H2	-2.736	-1.140	-0.000
H3	-2.978	0.708	-0.000
O4	0.037	-1.003	0.000
C5	1.077	-0.000	-0.000
O6	2.279	-0.172	-0.000
C7	0.051	1.153	0.000
H8	0.087	1.780	-0.895
H9	0.087	1.780	0.896
C10	-0.986	0.037	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0853	1.0850	2.4953	3.3858	4.5844	2.6894	3.1980	3.1982	1.3323
H2	1.0853		1.8640	2.7756	3.9794	5.1067	3.6084	4.1589	4.1590	2.1087
H3	1.0850	1.8640		3.4667	4.1164	5.3298	3.0610	3.3682	3.3686	2.1025
O4	2.4953	2.7756	3.4667		1.4454	2.3911	2.1565	2.9246	2.9241	1.4584
C5	3.3858	3.9794	4.1164	1.4454		1.2139	1.5438	2.2248	2.2248	2.0630
O6	4.5844	5.1067	5.3298	2.3911	1.2139		2.5924	3.0683	3.0684	3.2710
C7	2.6894	3.6084	3.0610	2.1565	1.5438	2.5924		1.0935	1.0935	1.5232
H8	3.1980	4.1589	3.3682	2.9246	2.2248	3.0683	1.0935		1.7903	2.2344
H9	3.1982	4.1590	3.3686	2.9241	2.2248	3.0684	1.0935	1.7903		2.2343
C10	1.3323	2.1087	2.1025	1.4584	2.0630	3.2710	1.5232	2.2344	2.2343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.742	C1	C10	C7	140.631
H2	C1	H3	118.382	H2	C1	C10	121.098
H3	C1	C10	120.520	O4	C5	O6	127.884
O4	C5	C7	92.288	O4	C10	C7	92.627
C5	O4	C10	90.544	C5	C7	H8	113.953
C5	C7	H9	113.950	C5	C7	C10	84.541
O6	C5	C7	139.829	H8	C7	H9	109.883
H8	C7	C10	116.307	H9	C7	C10	116.303

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

using model chemistry: B3LYP/LANL2DZ

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	-0.643
2	H	0.243
3	H	0.238
4	O	-0.306
5	C	0.217
6	O	-0.163
7	C	-0.587
8	H	0.267
9	H	0.267
10	C	0.467

	x	y	z	Total
	-3.137	3.062	0.000	4.383
CHELPG
AIM
ESP

	x	y	z
x	10.982	0.305	-0.004
y	0.305	5.618	0.000
z	-0.004	0.000	3.579

<r²>	150.990
(<r²>)^1/2	12.288

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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