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	hartrees
Energy at 0K	-304.925083
Energy at 298.15K	-304.929968
Nuclear repulsion energy	217.995365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3313	3150	0.63
2	A	3220	3062	0.55
3	A	3182	3026	0.22
4	A	3124	2971	1.66
5	A	2012	1913	377.90
6	A	1813	1724	271.50
7	A	1467	1395	12.22
8	A	1438	1368	3.59
9	A	1309	1245	98.06
10	A	1223	1163	1.32
11	A	1127	1071	0.79
12	A	1062	1010	178.03
13	A	1015	965	8.68
14	A	998	949	6.63
15	A	934	888	119.85
16	A	864	821	62.45
17	A	840	799	11.29
18	A	744	708	0.01
19	A	685	652	0.97
20	A	534	508	3.66
21	A	515	490	3.82
22	A	463	441	4.36
23	A	320	304	0.74
24	A	136	130	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	-2.211	-0.090	-0.002
H2	-2.694	-1.016	-0.001
H3	-2.778	0.783	-0.002
O4	0.043	-1.007	0.003
C5	0.973	-0.025	0.001
O6	2.178	-0.109	-0.003
C7	0.050	1.090	0.002
H8	0.068	1.695	-0.906
H9	0.071	1.691	0.911
C10	-0.884	-0.012	-0.001

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0435	1.0410	2.4340	3.1847	4.3896	2.5515	3.0326	3.0359	1.3296
H2	1.0435		1.8010	2.7367	3.7977	4.9554	3.4591	3.9734	3.9752	2.0692
H3	1.0410	1.8010		3.3411	3.8363	5.0355	2.8447	3.1214	3.1260	2.0537
O4	2.4340	2.7367	3.3411		1.3525	2.3164	2.0978	2.8506	2.8475	1.3604
C5	3.1847	3.7977	3.8363	1.3525		1.2085	1.4471	2.1441	2.1415	1.8568
O6	4.3896	4.9554	5.0355	2.3164	1.2085		2.4425	2.9192	2.9183	3.0639
C7	2.5515	3.4591	2.8447	2.0978	1.4471	2.4425		1.0903	1.0903	1.4453
H8	3.0326	3.9734	3.1214	2.8506	2.1441	2.9192	1.0903		1.8171	2.1535
H9	3.0359	3.9752	3.1260	2.8475	2.1415	2.9183	1.0903	1.8171		2.1551
C10	1.3296	2.0692	2.0537	1.3604	1.8568	3.0639	1.4453	2.1535	2.1551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	129.597	C1	C10	C7	133.665
H2	C1	H3	119.533	H2	C1	C10	120.892
H3	C1	C10	119.574	O4	C5	O6	129.417
O4	C5	C7	97.006	O4	C10	C7	96.738
C5	O4	C10	86.381	C5	C7	H8	114.619
C5	C7	H9	114.392	C5	C7	C10	79.875
O6	C5	C7	133.577	H8	C7	H9	112.886
H8	C7	C10	115.567	H9	C7	C10	115.701

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

using model chemistry: HSEh1PBE/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
1	C	-0.515
2	H	0.197
3	H	0.187
4	O	-0.459
5	C	0.637
6	O	-0.426
7	C	-0.559
8	H	0.237
9	H	0.237
10	C	0.464

	x	y	z	Total
	-2.618	2.303	-0.001	3.487
CHELPG
AIM
ESP

	x	y	z
x	10.104	0.335	0.000
y	0.335	5.714	0.000
z	0.000	0.000	3.563

<r²>	144.745
(<r²>)^1/2	12.031

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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