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	hartrees
Energy at 0K	-55.466710
Energy at 298.15K	-55.471838
Nuclear repulsion energy	112.474328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3464	3122	9.68
2	A	3375	3042	7.55
3	A	3370	3037	0.75
4	A	3298	2973	6.98
5	A	2032	1832	231.50
6	A	1898	1711	557.76
7	A	1602	1444	21.99
8	A	1554	1401	2.05
9	A	1379	1243	14.58
10	A	1348	1215	102.86
11	A	1234	1112	1.24
12	A	1143	1031	273.88
13	A	1095	987	32.55
14	A	1055	951	12.26
15	A	1052	948	79.62
16	A	982	885	134.43
17	A	874	788	26.54
18	A	793	714	1.51
19	A	719	648	5.55
20	A	562	507	6.69
21	A	548	494	9.70
22	A	476	429	14.64
23	A	328	296	1.45
24	A	141	127	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.293	-0.155	-0.000
H2	-2.708	-1.151	-0.000
H3	-2.962	0.688	-0.001
O4	0.051	-0.980	0.000
C5	1.076	-0.021	0.000
O6	2.263	-0.202	-0.000
C7	0.074	1.151	0.000
H8	0.114	1.770	-0.888
H9	0.114	1.769	0.888
C10	-0.968	0.030	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0783	1.0769	2.4846	3.3715	4.5565	2.7034	3.2074	3.2076	1.3383
H2	1.0783		1.8567	2.7637	3.9486	5.0609	3.6105	4.1568	4.1570	2.1029
H3	1.0769	1.8567		3.4440	4.0997	5.3006	3.0707	3.3790	3.3794	2.1003
O4	2.4846	2.7637	3.4440		1.4038	2.3457	2.1317	2.8907	2.8904	1.4343
C5	3.3715	3.9486	4.0997	1.4038		1.2011	1.5425	2.2185	2.2184	2.0440
O6	4.5565	5.0609	5.3006	2.3457	1.2011		2.5739	3.0486	3.0487	3.2392
C7	2.7034	3.6105	3.0707	2.1317	1.5425	2.5739		1.0829	1.0829	1.5303
H8	3.2074	4.1568	3.3790	2.8907	2.2185	3.0486	1.0829		1.7762	2.2329
H9	3.2076	4.1570	3.3794	2.8904	2.2184	3.0487	1.0829	1.7762		2.2328
C10	1.3383	2.1029	2.1003	1.4343	2.0440	3.2392	1.5303	2.2329	2.2328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.272	C1	C10	C7	140.833
H2	C1	H3	118.967	H2	C1	C10	120.584
H3	C1	C10	120.449	O4	C5	O6	128.276
O4	C5	C7	92.572	O4	C10	C7	91.895
C5	O4	C10	92.139	C5	C7	H8	114.201
C5	C7	H9	114.195	C5	C7	C10	83.395
O6	C5	C7	139.152	H8	C7	H9	110.191
H8	C7	C10	116.348	H9	C7	C10	116.341

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

using model chemistry: HF/CEP-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	-0.359
2	H	0.183
3	H	0.199
4	O	-0.286
5	C	0.014
6	O	-0.120
7	C	-0.002
8	H	0.178
9	H	0.178
10	C	0.016

	x	y	z	Total
	-3.763	3.498	0.000	5.138
CHELPG
AIM
ESP

	x	y	z
x	10.563	0.365	0.001
y	0.365	5.169	0.000
z	0.001	0.000	3.434

<r²>	120.261
(<r²>)^1/2	10.966

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

using model chemistry: HF/CEP-31G

States and conformations

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