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	hartrees
Energy at 0K	-304.898783
Energy at 298.15K	-304.903480
Nuclear repulsion energy	215.815174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3178	0.63
2	A	3127	3084	0.54
3	A	3087	3044	0.35
4	A	3030	2989	1.90
5	A	1923	1897	316.59
6	A	1736	1712	245.06
7	A	1402	1383	10.16
8	A	1378	1360	3.32
9	A	1237	1220	77.28
10	A	1163	1147	2.40
11	A	1076	1061	0.53
12	A	990	977	110.95
13	A	966	953	17.04
14	A	946	933	3.66
15	A	871	859	125.66
16	A	805	794	54.61
17	A	799	788	26.53
18	A	711	701	0.12
19	A	655	646	0.34
20	A	509	502	2.81
21	A	488	481	2.26
22	A	445	439	4.01
23	A	306	302	0.56
24	A	134	132	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-2.276	-0.154	-0.000
H2	-2.703	-1.158	-0.000
H3	-2.950	0.704	-0.000
O4	0.037	-0.981	0.000
C5	1.057	-0.002	-0.000
O6	2.243	-0.185	0.000
C7	0.051	1.156	0.000
H8	0.087	1.789	-0.900
H9	0.087	1.789	0.900
C10	-0.958	0.034	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0910	1.0905	2.4570	3.3366	4.5192	2.6706	3.1889	3.1889	1.3311
H2	1.0910		1.8779	2.7458	3.9330	5.0402	3.5968	4.1565	4.1565	2.1124
H3	1.0905	1.8779		3.4296	4.0688	5.2685	3.0355	3.3485	3.3486	2.1015
O4	2.4570	2.7458	3.4296		1.4128	2.3446	2.1361	2.9126	2.9125	1.4214
C5	3.3366	3.9330	4.0688	1.4128		1.1999	1.5335	2.2271	2.2271	2.0156
O6	4.5192	5.0402	5.2685	2.3446	1.1999		2.5687	3.0584	3.0583	3.2086
C7	2.6706	3.5968	3.0355	2.1361	1.5335	2.5687		1.1012	1.1012	1.5094
H8	3.1889	4.1565	3.3485	2.9126	2.2271	3.0584	1.1012		1.7999	2.2325
H9	3.1889	4.1565	3.3486	2.9125	2.2271	3.0583	1.1012	1.7999		2.2325
C10	1.3311	2.1124	2.1015	1.4214	2.0156	3.2086	1.5094	2.2325	2.2325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.384	C1	C10	C7	140.083
H2	C1	H3	118.824	H2	C1	C10	121.093
H3	C1	C10	120.083	O4	C5	O6	127.445
O4	C5	C7	92.849	O4	C10	C7	93.533
C5	O4	C10	90.660	C5	C7	H8	114.411
C5	C7	H9	114.412	C5	C7	C10	82.959
O6	C5	C7	139.707	H8	C7	H9	109.624
H8	C7	C10	116.694	H9	C7	C10	116.693

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	-0.371
2	H	0.136
3	H	0.127
4	O	-0.411
5	C	0.561
6	O	-0.391
7	C	-0.419
8	H	0.182
9	H	0.182
10	C	0.404

	x	y	z	Total
	-2.431	2.191	-0.000	3.272
CHELPG
AIM
ESP

	x	y	z
x	10.646	0.334	0.000
y	0.334	6.005	0.000
z	0.000	0.000	3.677

<r²>	147.078
(<r²>)^1/2	12.128

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-)