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	hartrees
Energy at 0K	-305.208373
Energy at 298.15K	-305.213265
Nuclear repulsion energy	218.670811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	3153	0.63
2	A	3187	3060	0.68
3	A	3161	3035	0.33
4	A	3103	2979	1.87
5	A	1992	1913	403.59
6	A	1791	1720	298.69
7	A	1433	1376	13.38
8	A	1408	1352	4.89
9	A	1292	1240	99.95
10	A	1202	1154	1.58
11	A	1115	1071	1.21
12	A	1040	998	155.80
13	A	1005	965	20.56
14	A	979	940	4.89
15	A	921	884	145.41
16	A	860	826	57.06
17	A	833	799	11.20
18	A	738	708	0.15
19	A	682	655	0.84
20	A	536	514	3.34
21	A	512	492	4.91
22	A	459	441	5.27
23	A	320	307	0.68
24	A	131	126	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.250	-0.155	-0.000
H2	-2.667	-1.151	-0.000
H3	-2.918	0.694	-0.000
O4	0.041	-0.962	0.000
C5	1.044	-0.005	0.000
O6	2.210	-0.186	-0.000
C7	0.053	1.147	0.000
H8	0.089	1.769	-0.893
H9	0.089	1.769	0.893
C10	-0.947	0.030	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0804	1.0798	2.4296	3.2978	4.4602	2.6459	3.1572	3.1572	1.3160
H2	1.0804		1.8626	2.7153	3.8842	4.9716	3.5614	4.1133	4.1133	2.0868
H3	1.0798	1.8626		3.3907	4.0230	5.2024	3.0052	3.3150	3.3150	2.0790
O4	2.4296	2.7153	3.3907		1.3855	2.3029	2.1083	2.8730	2.8730	1.4005
C5	3.2978	3.8842	4.0230	1.3855		1.1796	1.5195	2.2042	2.2042	1.9918
O6	4.4602	4.9716	5.2024	2.3029	1.1796		2.5351	3.0197	3.0197	3.1646
C7	2.6459	3.5614	3.0052	2.1083	1.5195	2.5351		1.0890	1.0890	1.4992
H8	3.1572	4.1133	3.3150	2.8730	2.2042	3.0197	1.0890		1.7865	2.2120
H9	3.1572	4.1133	3.3150	2.8730	2.2042	3.0197	1.0890	1.7865		2.2119
C10	1.3160	2.0868	2.0790	1.4005	1.9918	3.1646	1.4992	2.2120	2.2119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.823	C1	C10	C7	139.960
H2	C1	H3	119.134	H2	C1	C10	120.783
H3	C1	C10	120.083	O4	C5	O6	127.555
O4	C5	C7	92.945	O4	C10	C7	93.217
C5	O4	C10	91.272	C5	C7	H8	114.330
C5	C7	H9	114.328	C5	C7	C10	82.566
O6	C5	C7	139.500	H8	C7	H9	110.215
H8	C7	C10	116.542	H9	C7	C10	116.540

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

using model chemistry: B1B95/6-311G**

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	-0.248
2	H	0.141
3	H	0.130
4	O	-0.252
5	C	0.343
6	O	-0.275
7	C	-0.364
8	H	0.186
9	H	0.186
10	C	0.152

	x	y	z	Total
	-2.557	2.326	0.000	3.457
CHELPG
AIM
ESP

	x	y	z
x	10.449	0.346	0.000
y	0.346	5.977	0.000
z	0.000	0.000	4.060

<r²>	144.160
(<r²>)^1/2	12.007

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

using model chemistry: B1B95/6-311G**

States and conformations

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