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	hartrees
Energy at 0K	-305.217385
Energy at 298.15K	-305.222309
HF Energy	-305.217385
Nuclear repulsion energy	218.490296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3144	0.59
2	A	3189	3050	0.61
3	A	3166	3028	0.40
4	A	3104	2969	2.05
5	A	2007	1919	412.55
6	A	1803	1725	318.85
7	A	1441	1379	14.15
8	A	1417	1355	5.37
9	A	1301	1245	104.34
10	A	1219	1166	1.14
11	A	1127	1078	1.20
12	A	1053	1008	176.27
13	A	1008	964	15.80
14	A	990	947	6.54
15	A	931	890	149.46
16	A	878	839	59.15
17	A	834	798	8.10
18	A	744	712	0.09
19	A	690	660	0.97
20	A	539	516	3.47
21	A	515	493	5.59
22	A	459	439	5.88
23	A	325	311	0.81
24	A	131	125	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	-2.250	-0.155	-0.000
H2	-2.666	-1.154	-0.000
H3	-2.919	0.694	-0.000
O4	0.042	-0.964	-0.000
C5	1.044	-0.006	0.000
O6	2.211	-0.186	-0.000
C7	0.054	1.149	0.000
H8	0.090	1.770	-0.895
H9	0.090	1.770	0.895
C10	-0.950	0.032	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0817	1.0814	2.4302	3.2981	4.4611	2.6478	3.1599	3.1599	1.3141
H2	1.0817		1.8654	2.7147	3.8844	4.9721	3.5642	4.1168	4.1168	2.0865
H3	1.0814	1.8654		3.3932	4.0248	5.2048	3.0075	3.3182	3.3182	2.0778
O4	2.4302	2.7147	3.3932		1.3867	2.3041	2.1126	2.8771	2.8771	1.4048
C5	3.2981	3.8844	4.0248	1.3867		1.1802	1.5215	2.2063	2.2062	1.9944
O6	4.4611	4.9721	5.2048	2.3041	1.1802		2.5368	3.0215	3.0215	3.1678
C7	2.6478	3.5642	3.0075	2.1126	1.5215	2.5368		1.0901	1.0901	1.5016
H8	3.1599	4.1168	3.3182	2.8771	2.2063	3.0215	1.0901		1.7899	2.2143
H9	3.1599	4.1168	3.3182	2.8771	2.2062	3.0215	1.0901	1.7899		2.2143
C10	1.3141	2.0865	2.0778	1.4048	1.9944	3.1678	1.5016	2.2143	2.2143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.683	C1	C10	C7	140.129
H2	C1	H3	119.176	H2	C1	C10	120.821
H3	C1	C10	120.003	O4	C5	O6	127.514
O4	C5	C7	93.060	O4	C10	C7	93.188
C5	O4	C10	91.198	C5	C7	H8	114.287
C5	C7	H9	114.286	C5	C7	C10	82.554
O6	C5	C7	139.426	H8	C7	H9	110.368
H8	C7	C10	116.484	H9	C7	C10	116.484

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

using model chemistry: wB97X-D/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	-0.253
2	H	0.144
3	H	0.132
4	O	-0.257
5	C	0.345
6	O	-0.280
7	C	-0.351
8	H	0.185
9	H	0.185
10	C	0.150

	x	y	z	Total
	-2.624	2.374	0.000	3.539
CHELPG
AIM
ESP

	x	y	z
x	10.377	0.354	0.000
y	0.354	5.936	0.000
z	0.000	0.000	4.060

<r²>	144.416
(<r²>)^1/2	12.017

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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