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	hartrees
Energy at 0K	-305.250122
Energy at 298.15K	-305.255055
HF Energy	-305.250122
Nuclear repulsion energy	218.729664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3289	3144	0.36
2	A	3194	3053	0.93
3	A	3171	3032	0.06
4	A	3112	2975	1.75
5	A	1997	1909	400.84
6	A	1799	1720	336.34
7	A	1441	1378	10.54
8	A	1420	1358	6.94
9	A	1302	1244	92.36
10	A	1221	1167	0.45
11	A	1129	1079	1.12
12	A	1057	1010	176.19
13	A	1008	964	10.80
14	A	989	945	5.65
15	A	928	887	153.95
16	A	882	843	56.37
17	A	833	797	10.82
18	A	745	713	0.14
19	A	689	659	0.72
20	A	539	515	3.05
21	A	514	491	6.93
22	A	458	437	4.28
23	A	327	313	1.02
24	A	131	126	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-2.247	-0.155	-0.000
H2	-2.665	-1.150	-0.000
H3	-2.913	0.694	-0.000
O4	0.041	-0.963	-0.000
C5	1.044	-0.005	0.000
O6	2.210	-0.186	-0.000
C7	0.053	1.147	0.000
H8	0.089	1.767	-0.892
H9	0.089	1.767	0.892
C10	-0.950	0.032	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0794	1.0788	2.4268	3.2945	4.4571	2.6434	3.1540	3.1540	1.3110
H2	1.0794		1.8608	2.7126	3.8814	4.9691	3.5588	4.1097	4.1097	2.0832
H3	1.0788	1.8608		3.3869	4.0181	5.1976	3.0007	3.3105	3.3105	2.0717
O4	2.4268	2.7126	3.3869		1.3863	2.3035	2.1094	2.8720	2.8720	1.4041
C5	3.2945	3.8814	4.0181	1.3863		1.1798	1.5192	2.2019	2.2019	1.9939
O6	4.4571	4.9691	5.1976	2.3035	1.1798		2.5347	3.0175	3.0175	3.1669
C7	2.6434	3.5588	3.0007	2.1094	1.5192	2.5347		1.0873	1.0873	1.4995
H8	3.1540	4.1097	3.3105	2.8720	2.2019	3.0175	1.0873		1.7849	2.2100
H9	3.1540	4.1097	3.3105	2.8720	2.2019	3.0175	1.0873	1.7849		2.2100
C10	1.3110	2.0832	2.0717	1.4041	1.9939	3.1669	1.4995	2.2100	2.2100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.681	C1	C10	C7	140.195
H2	C1	H3	119.140	H2	C1	C10	120.968
H3	C1	C10	119.893	O4	C5	O6	127.531
O4	C5	C7	92.990	O4	C10	C7	93.124
C5	O4	C10	91.210	C5	C7	H8	114.273
C5	C7	H9	114.272	C5	C7	C10	82.675
O6	C5	C7	139.478	H8	C7	H9	110.330
H8	C7	C10	116.474	H9	C7	C10	116.474

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.344
2	H	0.131
3	H	0.127
4	O	-0.183
5	C	0.256
6	O	-0.233
7	C	-0.180
8	H	0.115
9	H	0.115
10	C	0.198

	x	y	z	Total
	-2.652	2.282	0.000	3.499
CHELPG
AIM
ESP

	x	y	z
x	10.805	0.314	0.000
y	0.314	6.421	0.000
z	0.000	0.000	4.617

<r²>	144.168
(<r²>)^1/2	12.007

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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