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	hartrees
Energy at 0K	-305.122365
Energy at 298.15K	-305.127226
Nuclear repulsion energy	217.558765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3296	3154	0.78
2	A	3205	3067	0.31
3	A	3167	3030	0.48
4	A	3110	2975	1.99
5	A	1993	1907	366.87
6	A	1798	1720	268.22
7	A	1466	1402	11.69
8	A	1436	1374	3.43
9	A	1295	1239	95.58
10	A	1220	1167	1.20
11	A	1123	1074	0.74
12	A	1050	1005	166.14
13	A	1005	962	6.93
14	A	994	951	6.27
15	A	923	883	128.74
16	A	858	820	62.37
17	A	832	796	13.38
18	A	739	707	0.01
19	A	681	651	0.89
20	A	530	507	3.47
21	A	513	491	3.58
22	A	462	442	4.41
23	A	319	305	0.69
24	A	136	130	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	-2.261	-0.156	-0.000
H2	-2.684	-1.155	-0.000
H3	-2.934	0.693	-0.000
O4	0.041	-0.966	0.000
C5	1.048	-0.006	0.000
O6	2.223	-0.187	-0.000
C7	0.053	1.152	-0.000
H8	0.089	1.779	-0.895
H9	0.089	1.779	0.895
C10	-0.953	0.032	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0845	1.0839	2.4398	3.3122	4.4841	2.6582	3.1730	3.1730	1.3217
H2	1.0845		1.8650	2.7310	3.9044	5.0014	3.5793	4.1348	4.1348	2.0989
H3	1.0839	1.8650		3.4062	4.0431	5.2318	3.0223	3.3344	3.3344	2.0889
O4	2.4398	2.7310	3.4062		1.3909	2.3171	2.1175	2.8877	2.8877	1.4079
C5	3.3122	3.9044	4.0431	1.3909		1.1890	1.5267	2.2160	2.2159	2.0009
O6	4.4841	5.0014	5.2318	2.3171	1.1890		2.5496	3.0371	3.0371	3.1833
C7	2.6582	3.5793	3.0223	2.1175	1.5267	2.5496		1.0939	1.0939	1.5051
H8	3.1730	4.1348	3.3344	2.8877	2.2160	3.0371	1.0939		1.7905	2.2223
H9	3.1730	4.1348	3.3344	2.8877	2.2159	3.0371	1.0939	1.7905		2.2223
C10	1.3217	2.0989	2.0889	1.4079	2.0009	3.1833	1.5051	2.2223	2.2223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.683	C1	C10	C7	140.124
H2	C1	H3	118.652	H2	C1	C10	121.140
H3	C1	C10	120.208	O4	C5	O6	127.656
O4	C5	C7	92.947	O4	C10	C7	93.193
C5	O4	C10	91.268	C5	C7	H8	114.464
C5	C7	H9	114.462	C5	C7	C10	82.592
O6	C5	C7	139.397	H8	C7	H9	109.857
H8	C7	C10	116.642	H9	C7	C10	116.641

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.517	-0.728
2	H	0.196	0.269
3	H	0.185	0.251
4	O	-0.457	-0.350
5	C	0.637	0.680
6	O	-0.429	-0.439
7	C	-0.555	-0.603
8	H	0.235	0.214
9	H	0.235	0.214
10	C	0.470	0.491

	x	y	z	Total
	-2.623	2.306	0.000	3.492
CHELPG
AIM
ESP	-2.654	2.289	0.000	3.505

<r²>	145.197
(<r²>)^1/2	12.050

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

using model chemistry: B3PW91/6-31G*

States and conformations

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