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	hartrees
Energy at 0K	-56.859864
Energy at 298.15K	-56.864632
Nuclear repulsion energy	112.732802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3146	2.69
2	A	3202	3065	1.73
3	A	3201	3064	0.10
4	A	3131	2997	2.92
5	A	1991	1906	425.50
6	A	1803	1726	308.80
7	A	1440	1378	18.88
8	A	1398	1339	3.74
9	A	1292	1236	109.58
10	A	1200	1149	2.96
11	A	1107	1060	0.62
12	A	1049	1004	219.74
13	A	998	955	14.11
14	A	956	915	7.20
15	A	917	878	83.72
16	A	852	816	93.94
17	A	827	792	7.29
18	A	718	687	0.01
19	A	673	644	1.44
20	A	521	499	3.88
21	A	499	478	2.56
22	A	444	425	5.80
23	A	302	289	0.60
24	A	132	127	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-2.293	-0.161	-0.000
H2	-2.712	-1.171	0.000
H3	-2.968	0.696	-0.000
O4	0.044	-0.965	0.000
C5	1.056	-0.006	-0.000
O6	2.242	-0.196	0.000
C7	0.058	1.166	0.000
H8	0.096	1.790	-0.902
H9	0.096	1.790	0.902
C10	-0.953	0.032	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0930	1.0912	2.4719	3.3532	4.5354	2.7000	3.2142	3.2142	1.3544
H2	1.0930		1.8850	2.7637	3.9441	5.0490	3.6241	4.1794	4.1793	2.1314
H3	1.0912	1.8850		3.4399	4.0848	5.2855	3.0616	3.3756	3.3756	2.1214
O4	2.4719	2.7637	3.4399		1.3944	2.3287	2.1317	2.9001	2.9000	1.4105
C5	3.3532	3.9441	4.0848	1.3944		1.2008	1.5400	2.2280	2.2280	2.0095
O6	4.5354	5.0490	5.2855	2.3287	1.2008		2.5741	3.0602	3.0602	3.2030
C7	2.7000	3.6241	3.0616	2.1317	1.5400	2.5741		1.0978	1.0978	1.5189
H8	3.2142	4.1794	3.3756	2.9001	2.2280	3.0602	1.0978		1.8048	2.2370
H9	3.2142	4.1793	3.3756	2.9000	2.2280	3.0602	1.0978	1.8048		2.2370
C10	1.3544	2.1314	2.1214	1.4105	2.0095	3.2030	1.5189	2.2370	2.2370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.753	C1	C10	C7	139.934
H2	C1	H3	119.315	H2	C1	C10	120.744
H3	C1	C10	119.940	O4	C5	O6	127.454
O4	C5	C7	93.043	O4	C10	C7	93.313
C5	O4	C10	91.516	C5	C7	H8	114.221
C5	C7	H9	114.222	C5	C7	C10	82.128
O6	C5	C7	139.503	H8	C7	H9	110.574
H8	C7	C10	116.578	H9	C7	C10	116.577

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

using model chemistry: B1B95/CEP-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	-0.383
2	H	0.214
3	H	0.234
4	O	-0.035
5	C	-0.244
6	O	-0.011
7	C	-0.005
8	H	0.193
9	H	0.193
10	C	-0.156

	x	y	z	Total
	-2.760	2.426	-0.000	3.675
CHELPG
AIM
ESP

	x	y	z
x	10.753	0.348	0.000
y	0.348	5.768	0.000
z	0.000	0.000	3.813

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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