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	hartrees
Energy at 0K	-305.188822
Energy at 298.15K	-305.193741
Nuclear repulsion energy	218.485852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3304	3154	0.17
2	A	3207	3062	1.11
3	A	3177	3034	0.07
4	A	3117	2976	1.75
5	A	2010	1919	370.54
6	A	1805	1723	271.78
7	A	1442	1377	9.61
8	A	1420	1356	5.04
9	A	1298	1239	84.19
10	A	1208	1154	0.95
11	A	1118	1067	0.99
12	A	1052	1004	154.78
13	A	1010	965	18.61
14	A	988	943	5.32
15	A	930	888	122.42
16	A	870	830	50.35
17	A	835	797	9.67
18	A	747	713	0.08
19	A	686	655	0.87
20	A	535	511	3.22
21	A	522	498	5.33
22	A	467	446	2.82
23	A	321	306	0.87
24	A	137	131	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	-2.251	-0.157	-0.000
H2	-2.674	-1.153	-0.000
H3	-2.919	0.693	-0.000
O4	0.042	-0.960	-0.000
C5	1.046	-0.006	0.000
O6	2.212	-0.188	0.000
C7	0.052	1.150	0.000
H8	0.086	1.775	-0.892
H9	0.086	1.775	0.893
C10	-0.949	0.029	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0814	1.0808	2.4298	3.3012	4.4636	2.6482	3.1613	3.1613	1.3158
H2	1.0814		1.8617	2.7230	3.8931	4.9803	3.5680	4.1214	4.1214	2.0910
H3	1.0808	1.8617		3.3908	4.0262	5.2060	3.0056	3.3160	3.3160	2.0790
O4	2.4298	2.7230	3.3908		1.3851	2.3030	2.1092	2.8772	2.8771	1.3996
C5	3.3012	3.8931	4.0262	1.3851		1.1799	1.5243	2.2115	2.2115	1.9954
O6	4.4636	4.9803	5.2060	2.3030	1.1799		2.5409	3.0286	3.0286	3.1683
C7	2.6482	3.5680	3.0056	2.1092	1.5243	2.5409		1.0905	1.0905	1.5025
H8	3.1613	4.1214	3.3160	2.8772	2.2115	3.0286	1.0905		1.7851	2.2175
H9	3.1613	4.1214	3.3160	2.8771	2.2115	3.0286	1.0905	1.7851		2.2174
C10	1.3158	2.0910	2.0790	1.3996	1.9954	3.1683	1.5025	2.2175	2.2174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.945	C1	C10	C7	139.885
H2	C1	H3	118.860	H2	C1	C10	121.131
H3	C1	C10	120.009	O4	C5	O6	127.570
O4	C5	C7	92.808	O4	C10	C7	93.170
C5	O4	C10	91.541	C5	C7	H8	114.489
C5	C7	H9	114.487	C5	C7	C10	82.480
O6	C5	C7	139.622	H8	C7	H9	109.861
H8	C7	C10	116.663	H9	C7	C10	116.661

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.525
2	H	0.164
3	H	0.158
4	O	-0.270
5	C	0.484
6	O	-0.319
7	C	-0.543
8	H	0.192
9	H	0.192
10	C	0.467

	x	y	z	Total
	-2.526	2.159	0.000	3.323
CHELPG
AIM
ESP

	x	y	z
x	10.242	0.324	0.000
y	0.324	6.049	0.000
z	0.000	0.000	4.078

<r²>	144.089
(<r²>)^1/2	12.004

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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