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	hartrees
Energy at 0K	-301.145740
Energy at 298.15K	-301.149983
Nuclear repulsion energy	208.305987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3454	3195	0.99
2	A	3339	3090	0.15
3	A	3305	3058	36.85
4	A	3225	2983	2.04
5	A	1908	1765	62.54
6	A	1777	1644	132.38
7	A	1560	1443	3.02
8	A	1501	1388	4.68
9	A	1290	1194	24.83
10	A	1245	1152	1.08
11	A	1128	1044	0.02
12	A	997	922	82.05
13	A	963	891	2.45
14	A	956	884	1.16
15	A	928	858	81.85
16	A	835	773	34.03
17	A	795	735	11.84
18	A	719	665	0.07
19	A	645	597	0.20
20	A	477	441	3.17
21	A	467	432	0.01
22	A	435	403	1.21
23	A	296	274	0.83
24	A	130	120	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-2.337	-0.147	-0.000
H2	-2.793	-1.151	-0.000
H3	-3.012	0.723	0.000
O4	0.029	-1.041	-0.000
C5	1.105	0.012	0.000
O6	2.342	-0.166	0.000
C7	0.023	1.187	0.000
H8	0.032	1.826	-0.912
H9	0.032	1.826	0.912
C10	-0.996	0.020	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.1023	1.1019	2.5286	3.4456	4.6789	2.7113	3.2151	3.2150	1.3506
H2	1.1023		1.8868	2.8238	4.0678	5.2286	3.6602	4.2039	4.2039	2.1440
H3	1.1019	1.8868		3.5157	4.1786	5.4278	3.0711	3.3642	3.3640	2.1351
O4	2.5286	2.8238	3.5157		1.5055	2.4731	2.2277	3.0078	3.0081	1.4749
C5	3.4456	4.0678	4.1786	1.5055		1.2496	1.5973	2.2963	2.2963	2.1017
O6	4.6789	5.2286	5.4278	2.4731	1.2496		2.6846	3.1833	3.1835	3.3438
C7	2.7113	3.6602	3.0711	2.2277	1.5973	2.6846		1.1133	1.1133	1.5503
H8	3.2151	4.2039	3.3642	3.0078	2.2963	3.1833	1.1133		1.8237	2.2698
H9	3.2150	4.2039	3.3640	3.0081	2.2963	3.1835	1.1133	1.8237		2.2698
C10	1.3506	2.1440	2.1351	1.4749	2.1017	3.3438	1.5503	2.2698	2.2698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.942	C1	C10	C7	138.239
H2	C1	H3	117.739	H2	C1	C10	121.542
H3	C1	C10	120.719	O4	C5	O6	127.457
O4	C5	C7	91.727	O4	C10	C7	94.818
C5	O4	C10	89.683	C5	C7	H8	114.629
C5	C7	H9	114.627	C5	C7	C10	83.772
O6	C5	C7	140.816	H8	C7	H9	109.976
H8	C7	C10	115.928	H9	C7	C10	115.929

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

using model chemistry: BLYP/STO-3G

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	-0.188
2	H	0.086
3	H	0.083
4	O	-0.122
5	C	0.192
6	O	-0.153
7	C	-0.163
8	H	0.098
9	H	0.098
10	C	0.069

	x	y	z	Total
	-1.244	1.448	0.000	1.909
CHELPG
AIM
ESP

	x	y	z
x	8.052	0.215	0.000
y	0.215	3.511	0.000
z	0.000	0.000	1.578

<r²>	154.396
(<r²>)^1/2	12.426

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

using model chemistry: BLYP/STO-3G

States and conformations

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