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	hartrees
Energy at 0K	-303.597712
Energy at 298.15K	-303.602948
Nuclear repulsion energy	220.743207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3400	3089	1.37
2	A	3309	3007	0.52
3	A	3285	2984	0.77
4	A	3231	2936	3.05
5	A	2129	1934	541.94
6	A	1904	1730	395.44
7	A	1572	1429	12.57
8	A	1538	1398	6.60
9	A	1413	1284	112.47
10	A	1335	1213	6.77
11	A	1219	1108	2.95
12	A	1162	1055	245.09
13	A	1088	988	8.49
14	A	1078	980	11.58
15	A	1019	926	164.17
16	A	996	905	60.42
17	A	890	808	3.64
18	A	803	730	0.03
19	A	737	669	2.09
20	A	579	526	5.49
21	A	569	517	12.39
22	A	500	455	5.96
23	A	350	318	1.95
24	A	139	126	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	-2.235	-0.162	-0.000
H2	-2.651	-1.150	-0.000
H3	-2.897	0.680	-0.000
O4	0.047	-0.937	-0.000
C5	1.038	-0.014	0.000
O6	2.185	-0.195	0.000
C7	0.060	1.149	0.000
H8	0.096	1.763	-0.887
H9	0.095	1.763	0.887
C10	-0.945	0.027	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0719	1.0711	2.4098	3.2763	4.4196	2.6429	3.1501	3.1502	1.3036
H2	1.0719		1.8464	2.7057	3.8596	4.9287	3.5543	4.1005	4.1004	2.0720
H3	1.0711	1.8464		3.3587	3.9958	5.1562	2.9937	3.3036	3.3037	2.0584
O4	2.4098	2.7057	3.3587		1.3547	2.2632	2.0869	2.8431	2.8431	1.3830
C5	3.2763	3.8596	3.9958	1.3547		1.1606	1.5203	2.1990	2.1989	1.9835
O6	4.4196	4.9287	5.1562	2.2632	1.1606		2.5142	2.9975	2.9975	3.1373
C7	2.6429	3.5543	2.9937	2.0869	1.5203	2.5142		1.0795	1.0795	1.5068
H8	3.1501	4.1005	3.3036	2.8431	2.1990	2.9975	1.0795		1.7747	2.2104
H9	3.1502	4.1004	3.3037	2.8431	2.1989	2.9975	1.0795	1.7747		2.2103
C10	1.3036	2.0720	2.0584	1.3830	1.9835	3.1373	1.5068	2.2104	2.2103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.500	C1	C10	C7	140.133
H2	C1	H3	119.000	H2	C1	C10	121.135
H3	C1	C10	119.865	O4	C5	O6	128.100
O4	C5	C7	92.906	O4	C10	C7	92.367
C5	O4	C10	92.851	C5	C7	H8	114.460
C5	C7	H9	114.455	C5	C7	C10	81.876
O6	C5	C7	138.994	H8	C7	H9	110.563
H8	C7	C10	116.469	H9	C7	C10	116.466

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.023
2	H	0.153
3	H	0.149
4	O	-0.829
5	C	1.318
6	O	-0.926
7	C	-0.747
8	H	0.174
9	H	0.174
10	C	0.512

	x	y	z	Total
	-3.008	2.516	0.000	3.921
CHELPG
AIM
ESP

	x	y	z
x	10.552	0.325	0.000
y	0.325	6.415	0.000
z	0.000	0.000	5.204

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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