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	hartrees
Energy at 0K	-304.967399
Energy at 298.15K	-304.972104
Nuclear repulsion energy	216.246771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3160	1.93
2	A	3103	3070	0.00
3	A	3069	3037	1.35
4	A	3016	2985	3.50
5	A	1912	1892	345.80
6	A	1723	1705	269.73
7	A	1404	1390	13.45
8	A	1376	1362	2.97
9	A	1229	1216	78.74
10	A	1167	1155	3.19
11	A	1091	1079	0.81
12	A	982	972	85.80
13	A	963	953	25.28
14	A	950	940	2.69
15	A	860	851	149.29
16	A	799	791	61.80
17	A	796	787	42.31
18	A	711	704	0.61
19	A	656	649	0.21
20	A	513	507	2.75
21	A	493	488	2.75
22	A	445	441	5.81
23	A	306	303	0.55
24	A	132	130	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-2.272	-0.152	-0.000
H2	-2.699	-1.156	-0.000
H3	-2.948	0.703	-0.000
O4	0.038	-0.979	-0.000
C5	1.058	-0.001	0.000
O6	2.236	-0.185	0.000
C7	0.051	1.153	0.000
H8	0.086	1.786	-0.898
H9	0.086	1.786	0.899
C10	-0.957	0.032	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0907	1.0900	2.4536	3.3339	4.5086	2.6647	3.1821	3.1821	1.3277
H2	1.0907		1.8755	2.7425	3.9308	5.0298	3.5907	4.1495	4.1495	2.1083
H3	1.0900	1.8755		3.4272	4.0677	5.2599	3.0328	3.3448	3.3448	2.1008
O4	2.4536	2.7425	3.4272		1.4136	2.3374	2.1319	2.9076	2.9076	1.4189
C5	3.3339	3.9308	4.0677	1.4136		1.1923	1.5313	2.2235	2.2234	2.0159
O6	4.5086	5.0298	5.2599	2.3374	1.1923		2.5621	3.0518	3.0517	3.2010
C7	2.6647	3.5907	3.0328	2.1319	1.5313	2.5621		1.0997	1.0997	1.5075
H8	3.1821	4.1495	3.3448	2.9076	2.2235	3.0518	1.0997		1.7969	2.2296
H9	3.1821	4.1495	3.3448	2.9076	2.2234	3.0517	1.0997	1.7969		2.2296
C10	1.3277	2.1083	2.1008	1.4189	2.0159	3.2010	1.5075	2.2296	2.2296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.552	C1	C10	C7	139.975
H2	C1	H3	118.642	H2	C1	C10	121.020
H3	C1	C10	120.339	O4	C5	O6	127.319
O4	C5	C7	92.670	O4	C10	C7	93.474
C5	O4	C10	90.743	C5	C7	H8	114.370
C5	C7	H9	114.368	C5	C7	C10	83.113
O6	C5	C7	140.011	H8	C7	H9	109.578
H8	C7	C10	116.700	H9	C7	C10	116.700

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

using model chemistry: PBEPBE/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	-0.505
2	H	0.229
3	H	0.221
4	O	-0.233
5	C	0.345
6	O	-0.239
7	C	-0.650
8	H	0.269
9	H	0.269
10	C	0.294

	x	y	z	Total
	-2.393	2.233	0.000	3.274
CHELPG
AIM
ESP

	x	y	z
x	10.946	0.346	0.000
y	0.346	6.236	0.000
z	0.000	0.000	4.106

<r²>	146.963
(<r²>)^1/2	12.123

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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