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	hartrees
Energy at 0K	-305.176616
Energy at 298.15K	-305.181274
Nuclear repulsion energy	214.590354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3178	1.16
2	A	3106	3090	0.16
3	A	3059	3043	0.62
4	A	3008	2992	2.80
5	A	1866	1856	357.92
6	A	1698	1689	311.50
7	A	1412	1404	10.05
8	A	1387	1380	4.47
9	A	1202	1195	74.07
10	A	1172	1166	0.94
11	A	1079	1074	1.11
12	A	965	960	111.70
13	A	950	945	1.44
14	A	947	942	2.83
15	A	834	830	153.09
16	A	817	813	61.83
17	A	775	770	69.83
18	A	701	698	0.32
19	A	646	642	0.15
20	A	501	499	2.57
21	A	488	485	3.26
22	A	441	439	6.69
23	A	304	303	0.70
24	A	133	132	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	-2.291	-0.154	-0.000
H2	-2.717	-1.158	-0.000
H3	-2.967	0.701	-0.000
O4	0.037	-0.986	0.000
C5	1.067	-0.001	0.000
O6	2.257	-0.186	-0.000
C7	0.053	1.160	0.000
H8	0.090	1.793	-0.900
H9	0.090	1.792	0.901
C10	-0.970	0.037	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0906	1.0903	2.4721	3.3616	4.5476	2.6873	3.2050	3.2049	1.3342
H2	1.0906		1.8756	2.7600	3.9573	5.0679	3.6124	4.1714	4.1712	2.1165
H3	1.0903	1.8756		3.4454	4.0951	5.2986	3.0548	3.3692	3.3693	2.1043
O4	2.4721	2.7600	3.4454		1.4246	2.3589	2.1462	2.9210	2.9207	1.4356
C5	3.3616	3.9573	4.0951	1.4246		1.2037	1.5425	2.2324	2.2321	2.0380
O6	4.5476	5.0679	5.2986	2.3589	1.2037		2.5828	3.0690	3.0690	3.2347
C7	2.6873	3.6124	3.0548	2.1462	1.5425	2.5828		1.1007	1.1007	1.5197
H8	3.2050	4.1714	3.3692	2.9210	2.2324	3.0690	1.1007		1.8010	2.2403
H9	3.2049	4.1712	3.3693	2.9207	2.2321	3.0690	1.1007	1.8010		2.2400
C10	1.3342	2.1165	2.1043	1.4356	2.0380	3.2347	1.5197	2.2403	2.2400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.342	C1	C10	C7	140.562
H2	C1	H3	118.639	H2	C1	C10	121.260
H3	C1	C10	120.101	O4	C5	O6	127.463
O4	C5	C7	92.577	O4	C10	C7	93.096
C5	O4	C10	90.882	C5	C7	H8	114.213
C5	C7	H9	114.188	C5	C7	C10	83.445
O6	C5	C7	139.960	H8	C7	H9	109.786
H8	C7	C10	116.598	H9	C7	C10	116.573

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

using model chemistry: BLYP/6-31+G**

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	-0.672
2	H	0.148
3	H	0.138
4	O	-0.299
5	C	0.486
6	O	-0.458
7	C	-0.291
8	H	0.192
9	H	0.192
10	C	0.565

	x	y	z	Total
	-2.765	2.483	0.000	3.717
CHELPG
AIM
ESP

<r²>	149.616
(<r²>)^1/2	12.232

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

using model chemistry: BLYP/6-31+G**

States and conformations

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