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	hartrees
Energy at 0K	-303.628293
Energy at 298.15K	-303.633041
Nuclear repulsion energy	218.016500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3229	3169	0.09
2	A	3129	3071	3.81
3	A	3096	3038	0.54
4	A	3035	2979	1.45
5	A	1980	1943	333.78
6	A	1780	1746	256.91
7	A	1377	1351	15.49
8	A	1354	1329	5.23
9	A	1268	1245	85.12
10	A	1149	1128	6.31
11	A	1066	1046	0.49
12	A	1024	1005	126.61
13	A	994	976	43.15
14	A	946	929	6.29
15	A	899	882	86.51
16	A	814	799	8.04
17	A	806	791	57.94
18	A	714	701	0.47
19	A	671	658	0.80
20	A	516	507	3.49
21	A	490	481	2.80
22	A	449	440	4.70
23	A	307	302	0.47
24	A	138	136	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	-2.254	-0.154	-0.000
H2	-2.673	-1.163	-0.000
H3	-2.931	0.701	-0.000
O4	0.036	-0.964	0.000
C5	1.043	-0.004	-0.000
O6	2.220	-0.187	0.000
C7	0.053	1.144	0.000
H8	0.090	1.779	-0.900
H9	0.090	1.779	0.900
C10	-0.946	0.034	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0921	1.0911	2.4292	3.3000	4.4736	2.6472	3.1688	3.1688	1.3213
H2	1.0921		1.8819	2.7171	3.8926	4.9893	3.5714	4.1351	4.1351	2.1012
H3	1.0911	1.8819		3.4026	4.0354	5.2264	3.0161	3.3309	3.3310	2.0940
O4	2.4292	2.7171	3.4026		1.3910	2.3173	2.1085	2.8873	2.8872	1.4002
C5	3.3000	3.8926	4.0354	1.3910		1.1912	1.5159	2.2125	2.2125	1.9891
O6	4.4736	4.9893	5.2264	2.3173	1.1912		2.5433	3.0350	3.0349	3.1733
C7	2.6472	3.5714	3.0161	2.1085	1.5159	2.5433		1.1018	1.1018	1.4937
H8	3.1688	4.1351	3.3309	2.8873	2.2125	3.0350	1.1018		1.8000	2.2201
H9	3.1688	4.1351	3.3310	2.8872	2.2125	3.0349	1.1018	1.8000		2.2201
C10	1.3213	2.1012	2.0940	1.4002	1.9891	3.1733	1.4937	2.2201	2.2201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.373	C1	C10	C7	140.149
H2	C1	H3	119.076	H2	C1	C10	120.776
H3	C1	C10	120.148	O4	C5	O6	127.473
O4	C5	C7	92.893	O4	C10	C7	93.478
C5	O4	C10	90.897	C5	C7	H8	114.460
C5	C7	H9	114.461	C5	C7	C10	82.732
O6	C5	C7	139.635	H8	C7	H9	109.546
H8	C7	C10	116.792	H9	C7	C10	116.790

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

using model chemistry: LSDA/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	-0.408
2	H	0.152
3	H	0.143
4	O	-0.378
5	C	0.512
6	O	-0.362
7	C	-0.472
8	H	0.204
9	H	0.204
10	C	0.404

	x	y	z	Total
	-2.511	2.217	-0.000	3.350
CHELPG
AIM
ESP

	x	y	z
x	10.462	0.334	0.000
y	0.334	5.937	0.000
z	0.000	0.000	3.664

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G**

States and conformations

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