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	hartrees
Energy at 0K	-303.468621
Energy at 298.15K	-303.473505
Nuclear repulsion energy	214.859382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3307	3157	0.10
2	A	3217	3071	1.87
3	A	3196	3051	0.09
4	A	3132	2990	1.03
5	A	1985	1895	229.84
6	A	1802	1720	280.21
7	A	1485	1418	7.76
8	A	1475	1408	11.69
9	A	1257	1200	28.86
10	A	1241	1185	42.78
11	A	1175	1122	0.11
12	A	995	949	110.86
13	A	984	939	23.47
14	A	964	920	3.92
15	A	925	883	70.40
16	A	874	834	131.41
17	A	791	755	61.50
18	A	744	710	0.28
19	A	675	644	1.02
20	A	525	501	3.32
21	A	524	500	3.56
22	A	462	441	7.33
23	A	315	300	0.34
24	A	144	138	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	2.280	-0.141	-0.000
H2	2.713	-1.133	-0.000
H3	2.942	0.714	0.000
O4	-0.045	-1.003	0.000
C5	-1.074	0.008	-0.000
O6	-2.258	-0.162	-0.000
C7	-0.036	1.147	0.000
H8	-0.059	1.762	0.902
H9	-0.059	1.762	-0.902
C10	0.977	0.022	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0817	1.0816	2.4797	3.3575	4.5386	2.6510	3.1479	3.1479	1.3141
H2	1.0817		1.8609	2.7611	3.9553	5.0653	3.5720	4.1084	4.1083	2.0856
H3	1.0816	1.8609		3.4455	4.0776	5.2738	3.0099	3.3044	3.3044	2.0842
O4	2.4797	2.7611	3.4455		1.4429	2.3678	2.1507	2.9087	2.9087	1.4468
C5	3.3575	3.9553	4.0776	1.4429		1.1967	1.5408	2.2181	2.2177	2.0502
O6	4.5386	5.0653	5.2738	2.3678	1.1967		2.5793	3.0585	3.0583	3.2399
C7	2.6510	3.5720	3.0099	2.1507	1.5408	2.5793		1.0917	1.0917	1.5141
H8	3.1479	4.1084	3.3044	2.9087	2.2181	3.0585	1.0917		1.8039	2.2169
H9	3.1479	4.1083	3.3044	2.9087	2.2177	3.0583	1.0917	1.8039		2.2166
C10	1.3141	2.0856	2.0842	1.4468	2.0502	3.2399	1.5141	2.2169	2.2166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.759	C1	C10	C7	139.109
H2	C1	H3	118.678	H2	C1	C10	120.726
H3	C1	C10	120.596	O4	C5	O6	127.287
O4	C5	C7	92.181	O4	C10	C7	93.132
C5	O4	C10	90.384	C5	C7	H8	113.737
C5	C7	H9	113.700	C5	C7	C10	84.303
O6	C5	C7	140.531	H8	C7	H9	111.417
H8	C7	C10	115.639	H9	C7	C10	115.610

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

using model chemistry: mPW1PW91/3-21G

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
1	C	-0.533
2	H	0.249
3	H	0.233
4	O	-0.484
5	C	0.679
6	O	-0.458
7	C	-0.613
8	H	0.293
9	H	0.293
10	C	0.341

	x	y	z	Total
	2.544	2.688	-0.000	3.701
CHELPG
AIM
ESP

<r²>	148.303
(<r²>)^1/2	12.178

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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