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	hartrees
Energy at 0K	-301.779261
Energy at 298.15K	-301.784426
Nuclear repulsion energy	216.986701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3440	3105	0.52
2	A	3355	3028	0.97
3	A	3329	3004	0.05
4	A	3269	2951	0.91
5	A	2120	1913	315.85
6	A	1930	1742	330.85
7	A	1593	1438	6.68
8	A	1583	1429	12.54
9	A	1376	1242	13.24
10	A	1336	1206	73.94
11	A	1268	1145	0.27
12	A	1100	993	188.75
13	A	1098	991	95.24
14	A	1054	952	10.20
15	A	1018	919	2.51
16	A	956	863	185.77
17	A	844	761	17.82
18	A	809	730	2.35
19	A	725	654	3.04
20	A	560	506	5.51
21	A	559	505	8.77
22	A	497	449	6.68
23	A	339	306	0.71
24	A	148	134	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-2.265	-0.151	-0.000
H2	-2.681	-1.137	-0.000
H3	-2.932	0.687	-0.000
O4	0.049	-0.975	0.000
C5	1.066	-0.003	0.000
O6	2.233	-0.173	-0.000
C7	0.045	1.149	0.000
H8	0.070	1.757	-0.892
H9	0.070	1.756	0.893
C10	-0.977	0.024	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0703	1.0703	2.4566	3.3342	4.4981	2.6501	3.1438	3.1438	1.2996
H2	1.0703		1.8405	2.7347	3.9146	5.0075	3.5571	4.0905	4.0905	2.0615
H3	1.0703	1.8405		3.4129	4.0569	5.2361	3.0122	3.3091	3.3093	2.0641
O4	2.4566	2.7347	3.4129		1.4069	2.3266	2.1243	2.8738	2.8736	1.4321
C5	3.3342	3.9146	4.0569	1.4069		1.1795	1.5397	2.2101	2.2100	2.0432
O6	4.4981	5.0075	5.2361	2.3266	1.1795		2.5571	3.0333	3.0333	3.2163
C7	2.6501	3.5571	3.0122	2.1243	1.5397	2.5571		1.0798	1.0798	1.5199
H8	3.1438	4.0905	3.3091	2.8738	2.2101	3.0333	1.0798		1.7851	2.2123
H9	3.1438	4.0905	3.3093	2.8736	2.2100	3.0333	1.0798	1.7851		2.2121
C10	1.2996	2.0615	2.0641	1.4321	2.0432	3.2163	1.5199	2.2123	2.2121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	128.056	C1	C10	C7	139.948
H2	C1	H3	118.588	H2	C1	C10	120.579
H3	C1	C10	120.832	O4	C5	O6	127.984
O4	C5	C7	92.153	O4	C10	C7	91.996
C5	O4	C10	92.054	C5	C7	H8	113.919
C5	C7	H9	113.904	C5	C7	C10	83.796
O6	C5	C7	139.863	H8	C7	H9	111.497
H8	C7	C10	115.603	H9	C7	C10	115.587

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

using model chemistry: HF/3-21G*

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	CHELPG
1	C	-0.531	-0.661
2	H	0.259	0.265
3	H	0.237	0.240
4	O	-0.651	-0.511
5	C	0.882	0.869
6	O	-0.565	-0.552
7	C	-0.621	-0.316
8	H	0.295	0.127
9	H	0.295	0.127
10	C	0.401	0.412

	x	y	z	Total
	-3.062	3.142	0.000	4.387
CHELPG	-3.114	3.110	0.001	4.401
AIM
ESP

	x	y	z
x	9.394	0.345	0.000
y	0.345	4.883	0.000
z	0.000	0.000	2.776

<r²>	146.778
(<r²>)^1/2	12.115

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

using model chemistry: HF/3-21G*

States and conformations

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