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	hartrees
Energy at 0K	-303.511451
Energy at 298.15K	-303.516672
Nuclear repulsion energy	219.958367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3118	1.20
2	A	3333	3026	0.53
3	A	3309	3004	0.99
4	A	3246	2947	3.00
5	A	2150	1952	534.16
6	A	1932	1754	368.48
7	A	1548	1406	15.65
8	A	1520	1380	8.09
9	A	1419	1288	136.10
10	A	1322	1201	11.29
11	A	1205	1095	2.49
12	A	1165	1058	252.90
13	A	1085	985	13.85
14	A	1079	980	11.80
15	A	1019	925	140.22
16	A	979	889	54.89
17	A	890	808	5.24
18	A	799	725	0.12
19	A	739	671	2.51
20	A	576	523	5.69
21	A	566	514	10.92
22	A	500	454	4.00
23	A	346	314	1.77
24	A	140	128	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-2.244	-0.160	-0.000
H2	-2.663	-1.155	-0.000
H3	-2.908	0.691	-0.000
O4	0.048	-0.942	0.000
C5	1.041	-0.013	0.000
O6	2.193	-0.193	-0.000
C7	0.059	1.150	0.000
H8	0.095	1.769	-0.894
H9	0.095	1.769	0.894
C10	-0.946	0.024	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0802	1.0796	2.4212	3.2877	4.4366	2.6494	3.1606	3.1606	1.3107
H2	1.0802		1.8628	2.7194	3.8761	4.9503	3.5673	4.1181	4.1180	2.0833
H3	1.0796	1.8628		3.3768	4.0108	5.1766	3.0024	3.3131	3.3133	2.0722
O4	2.4212	2.7194	3.3768		1.3597	2.2719	2.0916	2.8551	2.8547	1.3859
C5	3.2877	3.8761	4.0108	1.3597		1.1660	1.5214	2.2068	2.2065	1.9870
O6	4.4366	4.9503	5.1766	2.2719	1.1660		2.5208	3.0084	3.0083	3.1462
C7	2.6494	3.5673	3.0024	2.0916	1.5214	2.5208		1.0881	1.0881	1.5092
H8	3.1606	4.1181	3.3131	2.8551	2.2068	3.0084	1.0881		1.7878	2.2199
H9	3.1606	4.1180	3.3133	2.8547	2.2065	3.0083	1.0881	1.7878		2.2197
C10	1.3107	2.0833	2.0722	1.3859	1.9870	3.1462	1.5092	2.2199	2.2197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.738	C1	C10	C7	139.846
H2	C1	H3	119.189	H2	C1	C10	120.926
H3	C1	C10	119.885	O4	C5	O6	128.017
O4	C5	C7	92.927	O4	C10	C7	92.417
C5	O4	C10	92.719	C5	C7	H8	114.463
C5	C7	H9	114.441	C5	C7	C10	81.937
O6	C5	C7	139.055	H8	C7	H9	110.475
H8	C7	C10	116.517	H9	C7	C10	116.496

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

using model chemistry: HF/cc-pVDZ

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	-0.048	-0.658
2	H	0.067	0.249
3	H	0.055	0.222
4	O	-0.347	-0.407
5	C	0.364	0.772
6	O	-0.281	-0.538
7	C	-0.088	-0.230
8	H	0.099	0.093
9	H	0.098	0.093
10	C	0.082	0.405

	x	y	z	Total
	-2.817	2.550	0.001	3.800
CHELPG
AIM
ESP

	x	y	z
x	9.702	0.394	0.000
y	0.394	5.495	0.000
z	0.000	0.000	3.665

<r²>	143.398
(<r²>)^1/2	11.975

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

using model chemistry: HF/cc-pVDZ

States and conformations

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