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	hartrees
Energy at 0K	-302.378817
Energy at 298.15K	-302.383597
HF Energy	-301.771424
Nuclear repulsion energy	212.120544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3148	0.65
2	A	3208	3062	0.52
3	A	3205	3059	0.24
4	A	3140	2997	0.74
5	A	1883	1797	122.28
6	A	1735	1656	244.89
7	A	1536	1466	11.56
8	A	1503	1435	4.44
9	A	1273	1215	17.37
10	A	1220	1165	36.05
11	A	1178	1125	0.13
12	A	998	953	6.73
13	A	959	915	74.16
14	A	918	877	27.39
15	A	886	846	73.97
16	A	841	802	123.94
17	A	744	710	114.70
18	A	741	707	0.57
19	A	657	627	0.84
20	A	518	495	2.35
21	A	517	493	2.27
22	A	448	427	4.75
23	A	312	298	0.85
24	A	132	126	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.304	-0.138	-0.000
H2	-2.743	-1.129	-0.001
H3	-2.967	0.719	-0.001
O4	0.040	-1.029	0.001
C5	1.089	0.012	-0.000
O6	2.288	-0.159	-0.000
C7	0.031	1.163	0.000
H8	0.055	1.778	-0.902
H9	0.055	1.778	0.903
C10	-0.987	0.023	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0834	1.0835	2.5073	3.3957	4.5918	2.6732	3.1702	3.1703	1.3265
H2	1.0834		1.8608	2.7849	3.9979	5.1238	3.5984	4.1343	4.1343	2.1001
H3	1.0835	1.8608		3.4778	4.1165	5.3275	3.0308	3.3265	3.3269	2.0982
O4	2.5073	2.7849	3.4778		1.4775	2.4107	2.1920	2.9491	2.9483	1.4705
C5	3.3957	3.9979	4.1165	1.4775		1.2114	1.5630	2.2366	2.2367	2.0758
O6	4.5918	5.1238	5.3275	2.4107	1.2114		2.6151	3.0904	3.0906	3.2802
C7	2.6732	3.5984	3.0308	2.1920	1.5630	2.6151		1.0923	1.0923	1.5284
H8	3.1702	4.1343	3.3265	2.9491	2.2366	3.0904	1.0923		1.8044	2.2315
H9	3.1703	4.1343	3.3269	2.9483	2.2367	3.0906	1.0923	1.8044		2.2315
C10	1.3265	2.1001	2.0982	1.4705	2.0758	3.2802	1.5284	2.2315	2.2315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.307	C1	C10	C7	138.783
H2	C1	H3	118.350	H2	C1	C10	120.923
H3	C1	C10	120.727	O4	C5	O6	127.134
O4	C5	C7	92.216	O4	C10	C7	93.910
C5	O4	C10	89.520	C5	C7	H8	113.589
C5	C7	H9	113.594	C5	C7	C10	84.354
O6	C5	C7	140.650	H8	C7	H9	111.375
H8	C7	C10	115.750	H9	C7	C10	115.749

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.478	-0.688
2	H	0.218	0.262
3	H	0.202	0.245
4	O	-0.470	-0.420
5	C	0.644	0.708
6	O	-0.413	-0.396
7	C	-0.552	-0.558
8	H	0.258	0.199
9	H	0.258	0.199
10	C	0.332	0.447

	x	y	z	Total
	-2.140	2.669	0.000	3.421
CHELPG
AIM
ESP	-2.152	2.639	0.000	3.406

	x	y	z
x	9.699	0.254	0.000
y	0.254	5.228	0.000
z	0.000	0.000	2.854

<r²>	152.082
(<r²>)^1/2	12.332

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

using model chemistry: MP2/3-21G

States and conformations

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