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	hartrees
Energy at 0K	-305.233799
Energy at 298.15K	-305.238697
Nuclear repulsion energy	218.290722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3270	3145	0.26
2	A	3177	3055	0.79
3	A	3146	3025	0.03
4	A	3092	2973	1.85
5	A	1973	1897	385.61
6	A	1775	1707	312.30
7	A	1433	1378	11.01
8	A	1411	1357	5.78
9	A	1279	1230	85.29
10	A	1203	1157	0.63
11	A	1114	1072	1.20
12	A	1032	992	142.65
13	A	1000	961	15.33
14	A	980	943	4.06
15	A	909	874	159.32
16	A	864	830	56.25
17	A	826	794	18.36
18	A	736	708	0.22
19	A	680	654	0.46
20	A	533	513	2.92
21	A	514	494	5.52
22	A	461	444	4.44
23	A	320	308	0.79
24	A	135	130	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	-2.254	-0.154	-0.000
H2	-2.677	-1.148	-0.000
H3	-2.918	0.697	-0.000
O4	0.041	-0.964	0.000
C5	1.048	-0.004	0.000
O6	2.215	-0.185	-0.000
C7	0.052	1.146	0.000
H8	0.086	1.770	-0.892
H9	0.086	1.770	0.893
C10	-0.951	0.029	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0807	1.0800	2.4334	3.3053	4.4686	2.6469	3.1580	3.1579	1.3156
H2	1.0807		1.8612	2.7245	3.8974	4.9861	3.5656	4.1170	4.1168	2.0898
H3	1.0800	1.8612		3.3937	4.0278	5.2083	3.0037	3.3123	3.3125	2.0775
O4	2.4334	2.7245	3.3937		1.3918	2.3092	2.1105	2.8768	2.8764	1.4039
C5	3.3053	3.8974	4.0278	1.3918		1.1807	1.5216	2.2067	2.2063	1.9994
O6	4.4686	4.9861	5.2083	2.3092	1.1807		2.5400	3.0252	3.0252	3.1730
C7	2.6469	3.5656	3.0037	2.1105	1.5216	2.5400		1.0893	1.0894	1.5010
H8	3.1580	4.1170	3.3123	2.8768	2.2067	3.0252	1.0893		1.7849	2.2141
H9	3.1579	4.1168	3.3125	2.8764	2.2063	3.0252	1.0894	1.7849		2.2138
C10	1.3156	2.0898	2.0775	1.4039	1.9994	3.1730	1.5010	2.2141	2.2138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.933	C1	C10	C7	139.932
H2	C1	H3	118.947	H2	C1	C10	121.098
H3	C1	C10	119.955	O4	C5	O6	127.516
O4	C5	C7	92.734	O4	C10	C7	93.135
C5	O4	C10	91.310	C5	C7	H8	114.359
C5	C7	H9	114.332	C5	C7	C10	82.821
O6	C5	C7	139.750	H8	C7	H9	110.017
H8	C7	C10	116.566	H9	C7	C10	116.539

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

using model chemistry: B3PW91/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	-0.330
2	H	0.130
3	H	0.126
4	O	-0.179
5	C	0.264
6	O	-0.227
7	C	-0.220
8	H	0.119
9	H	0.119
10	C	0.198

	x	y	z	Total
	-2.597	2.258	0.000	3.441
CHELPG
AIM
ESP

<r²>	144.679
(<r²>)^1/2	12.028

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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