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	hartrees
Energy at 0K	-304.914997
Energy at 298.15K	-304.919700
Nuclear repulsion energy	215.685607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3198	0.29
2	A	3111	3093	0.80
3	A	3077	3059	0.15
4	A	3016	2998	1.92
5	A	1916	1905	323.33
6	A	1732	1722	269.69
7	A	1362	1354	7.16
8	A	1344	1336	9.20
9	A	1232	1224	73.13
10	A	1142	1136	2.27
11	A	1061	1054	0.73
12	A	983	977	81.52
13	A	963	958	42.84
14	A	929	924	2.63
15	A	866	861	131.64
16	A	803	799	45.81
17	A	794	790	34.25
18	A	705	701	0.26
19	A	656	652	0.16
20	A	509	506	2.58
21	A	489	486	2.88
22	A	445	442	3.95
23	A	305	304	0.60
24	A	134	133	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-2.279	-0.153	-0.000
H2	-2.707	-1.163	-0.000
H3	-2.950	0.714	-0.000
O4	0.038	-0.981	0.000
C5	1.059	0.001	0.000
O6	2.243	-0.185	0.000
C7	0.050	1.155	0.000
H8	0.084	1.791	-0.905
H9	0.084	1.791	0.906
C10	-0.957	0.030	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0974	1.0967	2.4606	3.3413	4.5215	2.6708	3.1912	3.1912	1.3342
H2	1.0974		1.8935	2.7515	3.9418	5.0455	3.6020	4.1642	4.1641	2.1179
H3	1.0967	1.8935		3.4356	4.0719	5.2698	3.0319	3.3444	3.3445	2.1071
O4	2.4606	2.7515	3.4356		1.4158	2.3436	2.1355	2.9163	2.9161	1.4184
C5	3.3413	3.9418	4.0719	1.4158		1.1981	1.5331	2.2305	2.2305	2.0163
O6	4.5215	5.0455	5.2698	2.3436	1.1981		2.5694	3.0628	3.0628	3.2069
C7	2.6708	3.6020	3.0319	2.1355	1.5331	2.5694		1.1072	1.1072	1.5100
H8	3.1912	4.1642	3.3444	2.9163	2.2305	3.0628	1.1072		1.8112	2.2376
H9	3.1912	4.1641	3.3445	2.9161	2.2305	3.0628	1.1072	1.8112		2.2376
C10	1.3342	2.1179	2.1071	1.4184	2.0163	3.2069	1.5100	2.2376	2.2376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.708	C1	C10	C7	139.698
H2	C1	H3	119.307	H2	C1	C10	120.838
H3	C1	C10	119.856	O4	C5	O6	127.229
O4	C5	C7	92.713	O4	C10	C7	93.593
C5	O4	C10	90.700	C5	C7	H8	114.336
C5	C7	H9	114.330	C5	C7	C10	82.993
O6	C5	C7	140.057	H8	C7	H9	109.747
H8	C7	C10	116.673	H9	C7	C10	116.669

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

using model chemistry: PBEPBE/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	-0.034
2	H	0.041
3	H	0.034
4	O	-0.177
5	C	0.135
6	O	-0.139
7	C	-0.081
8	H	0.086
9	H	0.086
10	C	0.047

	x	y	z	Total
	-2.211	2.102	0.000	3.051
CHELPG
AIM
ESP

	x	y	z
x	10.857	0.358	0.000
y	0.358	6.191	0.000
z	0.000	0.000	3.883

<r²>	147.379
(<r²>)^1/2	12.140

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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