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	hartrees
Energy at 0K	-305.199538
Energy at 298.15K	-305.204207
Nuclear repulsion energy	214.462567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3184	0.99
2	A	3095	3089	0.18
3	A	3056	3050	0.60
4	A	3003	2998	3.52
5	A	1855	1851	329.12
6	A	1692	1689	321.16
7	A	1393	1390	10.72
8	A	1370	1368	4.03
9	A	1190	1188	57.91
10	A	1149	1146	0.19
11	A	1067	1065	1.09
12	A	956	954	90.90
13	A	946	944	12.20
14	A	937	935	1.24
15	A	833	831	51.78
16	A	826	825	128.76
17	A	764	763	96.51
18	A	699	698	0.43
19	A	644	642	0.13
20	A	499	498	2.50
21	A	486	485	3.77
22	A	442	441	6.30
23	A	303	303	0.80
24	A	133	132	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.293	-0.154	-0.001
H2	-2.722	-1.161	-0.001
H3	-2.970	0.706	-0.001
O4	0.037	-0.986	0.001
C5	1.070	0.000	-0.000
O6	2.257	-0.187	-0.001
C7	0.053	1.159	0.000
H8	0.090	1.793	-0.902
H9	0.090	1.792	0.904
C10	-0.971	0.036	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0949	1.0944	2.4739	3.3667	4.5497	2.6882	3.2066	3.2068	1.3358
H2	1.0949		1.8836	2.7640	3.9660	5.0730	3.6171	4.1770	4.1770	2.1214
H3	1.0944	1.8836		3.4501	4.1013	5.3023	3.0564	3.3700	3.3706	2.1083
O4	2.4739	2.7640	3.4501		1.4290	2.3596	2.1458	2.9233	2.9224	1.4356
C5	3.3667	3.9660	4.1013	1.4290		1.2011	1.5423	2.2338	2.2339	2.0413
O6	4.5497	5.0730	5.3023	2.3596	1.2011		2.5826	3.0708	3.0710	3.2352
C7	2.6882	3.6171	3.0564	2.1458	1.5423	2.5826		1.1038	1.1038	1.5194
H8	3.2066	4.1770	3.3700	2.9233	2.2338	3.0708	1.1038		1.8062	2.2418
H9	3.2068	4.1770	3.3706	2.9224	2.2339	3.0710	1.1038	1.8062		2.2419
C10	1.3358	2.1214	2.1083	1.4356	2.0413	3.2352	1.5194	2.2418	2.2419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.380	C1	C10	C7	140.531
H2	C1	H3	118.721	H2	C1	C10	121.251
H3	C1	C10	120.029	O4	C5	O6	127.366
O4	C5	C7	92.390	O4	C10	C7	93.088
C5	O4	C10	90.897	C5	C7	H8	114.148
C5	C7	H9	114.154	C5	C7	C10	83.625
O6	C5	C7	140.244	H8	C7	H9	109.809
H8	C7	C10	116.543	H9	C7	C10	116.542

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

using model chemistry: BLYP/aug-cc-pVDZ

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	1.235
2	H	-0.660
3	H	-0.618
4	O	-0.564
5	C	0.549
6	O	-0.420
7	C	0.947
8	H	-0.445
9	H	-0.445
10	C	0.421

	x	y	z	Total
	-2.670	2.337	0.001	3.548
CHELPG
AIM
ESP

	x	y	z
x	12.577	0.278	0.001
y	0.278	7.692	0.000
z	0.001	0.000	5.781

<r²>	149.773
(<r²>)^1/2	12.238

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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