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	hartrees
Energy at 0K	-305.021948
Energy at 298.15K	-305.026798
Nuclear repulsion energy	215.307392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3318	3165	1.09
2	A	3221	3072	1.36
3	A	3189	3041	0.22
4	A	3127	2982	1.35
5	A	1934	1844	203.85
6	A	1799	1716	363.63
7	A	1483	1415	17.10
8	A	1461	1393	1.74
9	A	1260	1201	26.11
10	A	1243	1186	52.70
11	A	1141	1088	0.26
12	A	1020	973	131.92
13	A	1005	959	13.97
14	A	986	941	22.89
15	A	929	886	66.68
16	A	879	839	87.69
17	A	807	770	83.26
18	A	738	704	0.27
19	A	669	638	1.68
20	A	523	499	4.37
21	A	505	481	1.69
22	A	456	435	8.59
23	A	315	300	0.36
24	A	136	130	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.281	-0.143	-0.000
H2	2.705	-1.138	-0.000
H3	2.958	0.701	-0.000
O4	-0.038	-0.994	0.000
C5	-1.061	-0.002	-0.001
O6	-2.254	-0.172	0.000
C7	-0.053	1.143	0.000
H8	-0.089	1.770	0.892
H9	-0.089	1.771	-0.891
C10	0.975	0.039	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0814	1.0814	2.4702	3.3456	4.5355	2.6650	3.1744	3.1743	1.3192
H2	1.0814		1.8563	2.7460	3.9336	5.0519	3.5787	4.1305	4.1305	2.0924
H3	1.0814	1.8563		3.4416	4.0799	5.2843	3.0428	3.3503	3.3500	2.0903
O4	2.4702	2.7460	3.4416		1.4258	2.3640	2.1371	2.9050	2.9056	1.4466
C5	3.3456	3.9336	4.0799	1.4258		1.2049	1.5255	2.2093	2.2091	2.0365
O6	4.5355	5.0519	5.2843	2.3640	1.2049		2.5641	3.0420	3.0423	3.2358
C7	2.6650	3.5787	3.0428	2.1371	1.5255	2.5641		1.0911	1.0911	1.5081
H8	3.1744	4.1305	3.3503	2.9050	2.2093	3.0420	1.0911		1.7839	2.2192
H9	3.1743	4.1305	3.3500	2.9056	2.2091	3.0423	1.0911	1.7839		2.2192
C10	1.3192	2.0924	2.0903	1.4466	2.0365	3.2358	1.5081	2.2192	2.2192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.477	C1	C10	C7	140.895
H2	C1	H3	118.249	H2	C1	C10	120.980
H3	C1	C10	120.771	O4	C5	O6	127.762
O4	C5	C7	92.730	O4	C10	C7	92.628
C5	O4	C10	90.305	C5	C7	H8	114.175
C5	C7	H9	114.160	C5	C7	C10	84.337
O6	C5	C7	139.508	H8	C7	H9	109.657
H8	C7	C10	116.335	H9	C7	C10	116.336

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

using model chemistry: B1B95/6-31G

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	-0.396
2	H	0.183
3	H	0.168
4	O	-0.480
5	C	0.517
6	O	-0.360
7	C	-0.435
8	H	0.235
9	H	0.235
10	C	0.333

	x	y	z	Total
	3.026	2.878	-0.001	4.176
CHELPG
AIM
ESP

	x	y	z
x	10.461	-0.313	-0.000
y	-0.313	5.552	-0.000
z	-0.000	-0.000	3.260

<r²>	148.074
(<r²>)^1/2	12.169

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

using model chemistry: B1B95/6-31G

States and conformations

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