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	hartrees
Energy at 0K	-303.494474
Energy at 298.15K	-303.499692
Nuclear repulsion energy	220.111388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3436	3102	2.20
2	A	3343	3018	0.23
3	A	3310	2988	1.47
4	A	3253	2936	3.08
5	A	2158	1948	515.46
6	A	1941	1752	336.90
7	A	1581	1427	12.53
8	A	1547	1397	5.96
9	A	1425	1286	139.25
10	A	1347	1216	4.35
11	A	1222	1103	1.97
12	A	1178	1064	254.06
13	A	1093	987	14.84
14	A	1085	979	9.46
15	A	1024	924	137.48
16	A	1002	904	60.74
17	A	896	809	4.17
18	A	806	728	0.45
19	A	739	667	2.48
20	A	576	520	6.06
21	A	566	511	10.89
22	A	498	450	4.20
23	A	348	314	1.94
24	A	139	126	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-2.241	-0.160	-0.000
H2	-2.654	-1.151	-0.000
H3	-2.907	0.681	-0.000
O4	0.046	-0.942	0.000
C5	1.038	-0.015	0.000
O6	2.193	-0.193	-0.000
C7	0.060	1.150	0.000
H8	0.095	1.766	-0.889
H9	0.095	1.765	0.889
C10	-0.948	0.028	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0732	1.0729	2.4166	3.2822	4.4340	2.6470	3.1551	3.1552	1.3064
H2	1.0732		1.8489	2.7080	3.8630	4.9410	3.5573	4.1052	4.1051	2.0736
H3	1.0729	1.8489		3.3694	4.0059	5.1743	3.0032	3.3134	3.3136	2.0648
O4	2.4166	2.7080	3.3694		1.3581	2.2742	2.0916	2.8502	2.8499	1.3888
C5	3.2822	3.8630	4.0059	1.3581		1.1686	1.5210	2.2021	2.2019	1.9866
O6	4.4340	4.9410	5.1743	2.2742	1.1686		2.5207	3.0043	3.0043	3.1489
C7	2.6470	3.5573	3.0032	2.0916	1.5210	2.5207		1.0820	1.0820	1.5077
H8	3.1551	4.1052	3.3134	2.8502	2.2021	3.0043	1.0820		1.7780	2.2131
H9	3.1552	4.1051	3.3136	2.8499	2.2019	3.0043	1.0820	1.7780		2.2129
C10	1.3064	2.0736	2.0648	1.3888	1.9866	3.1489	1.5077	2.2131	2.2129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.417	C1	C10	C7	140.212
H2	C1	H3	118.968	H2	C1	C10	120.930
H3	C1	C10	120.101	O4	C5	O6	128.186
O4	C5	C7	93.011	O4	C10	C7	92.371
C5	O4	C10	92.639	C5	C7	H8	114.494
C5	C7	H9	114.476	C5	C7	C10	81.979
O6	C5	C7	138.803	H8	C7	H9	110.485
H8	C7	C10	116.462	H9	C7	C10	116.444

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

using model chemistry: HF/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	CHELPG
1	C	-0.399	-0.679
2	H	0.163	0.258
3	H	0.148	0.230
4	O	-0.594	-0.427
5	C	0.784	0.804
6	O	-0.510	-0.557
7	C	-0.421	-0.289
8	H	0.193	0.113
9	H	0.193	0.113
10	C	0.442	0.435

	x	y	z	Total
	-3.023	2.645	0.001	4.017
CHELPG
AIM
ESP

	x	y	z
x	9.537	0.373	0.000
y	0.373	5.382	0.000
z	0.000	0.000	3.500

<r²>	143.119
(<r²>)^1/2	11.963

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

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

States and conformations

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