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	hartrees
Energy at 0K	-305.131960
Energy at 298.15K	-305.136780
Nuclear repulsion energy	214.226389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3290	3165	1.73
2	A	3199	3077	0.85
3	A	3158	3038	1.00
4	A	3102	2984	1.64
5	A	1907	1835	189.02
6	A	1775	1708	354.83
7	A	1491	1434	14.76
8	A	1466	1410	1.57
9	A	1259	1211	13.90
10	A	1228	1181	55.64
11	A	1139	1096	0.27
12	A	1006	968	10.87
13	A	1003	965	109.70
14	A	972	935	32.99
15	A	924	889	63.99
16	A	860	827	81.07
17	A	784	754	105.25
18	A	736	708	0.34
19	A	663	638	1.38
20	A	517	497	3.61
21	A	504	485	1.62
22	A	452	435	7.87
23	A	313	301	0.46
24	A	139	134	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	2.292	-0.143	-0.000
H2	2.718	-1.139	-0.000
H3	2.971	0.701	0.000
O4	-0.038	-1.001	0.000
C5	-1.070	-0.001	-0.000
O6	-2.266	-0.172	-0.000
C7	-0.052	1.148	0.000
H8	-0.089	1.778	0.893
H9	-0.089	1.778	-0.893
C10	0.982	0.040	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0833	1.0834	2.4825	3.3648	4.5582	2.6759	3.1869	3.1869	1.3224
H2	1.0833		1.8579	2.7591	3.9549	5.0770	3.5919	4.1454	4.1455	2.0981
H3	1.0834	1.8579		3.4564	4.1010	5.3090	3.0553	3.3640	3.3641	2.0956
O4	2.4825	2.7591	3.4564		1.4366	2.3776	2.1484	2.9186	2.9189	1.4569
C5	3.3648	3.9549	4.1010	1.4366		1.2084	1.5350	2.2191	2.2188	2.0525
O6	4.5582	5.0770	5.3090	2.3776	1.2084		2.5776	3.0558	3.0557	3.2553
C7	2.6759	3.5919	3.0553	2.1484	1.5350	2.5776		1.0933	1.0933	1.5158
H8	3.1869	4.1454	3.3640	2.9186	2.2191	3.0558	1.0933		1.7855	2.2285
H9	3.1869	4.1455	3.3641	2.9189	2.2188	3.0557	1.0933	1.7855		2.2284
C10	1.3224	2.0981	2.0956	1.4569	2.0525	3.2553	1.5158	2.2285	2.2284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.493	C1	C10	C7	140.968
H2	C1	H3	118.072	H2	C1	C10	121.093
H3	C1	C10	120.835	O4	C5	O6	127.807
O4	C5	C7	92.540	O4	C10	C7	92.540
C5	O4	C10	90.359	C5	C7	H8	114.141
C5	C7	H9	114.122	C5	C7	C10	84.560
O6	C5	C7	139.652	H8	C7	H9	109.484
H8	C7	C10	116.395	H9	C7	C10	116.382

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

using model chemistry: B3LYP/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	-0.369
2	H	0.162
3	H	0.148
4	O	-0.475
5	C	0.507
6	O	-0.354
7	C	-0.396
8	H	0.211
9	H	0.210
10	C	0.356

	x	y	z	Total
	2.999	2.850	-0.000	4.137
CHELPG
AIM
ESP

	x	y	z
x	10.585	-0.321	0.000
y	-0.321	5.602	0.000
z	0.000	0.000	3.262

<r²>	149.488
(<r²>)^1/2	12.227

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

using model chemistry: B3LYP/6-31G

States and conformations

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