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	hartrees
Energy at 0K	-303.612461
Energy at 298.15K	-303.617692
HF Energy	-303.612461
Nuclear repulsion energy	220.677611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3404	3086	1.50
2	A	3313	3003	0.42
3	A	3290	2982	0.92
4	A	3236	2933	3.30
5	A	2127	1928	525.88
6	A	1908	1730	396.04
7	A	1572	1424	11.84
8	A	1539	1395	6.74
9	A	1412	1280	117.02
10	A	1335	1210	6.20
11	A	1219	1105	2.66
12	A	1161	1053	243.40
13	A	1091	989	8.94
14	A	1077	977	11.10
15	A	1018	923	165.51
16	A	994	901	61.85
17	A	889	806	4.10
18	A	803	728	0.01
19	A	737	668	2.09
20	A	579	525	5.18
21	A	570	516	11.56
22	A	503	456	5.49
23	A	350	317	2.02
24	A	139	126	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	-2.234	-0.158	-0.000
H2	-2.645	-1.146	-0.000
H3	-2.896	0.683	-0.000
O4	0.045	-0.942	-0.000
C5	1.039	-0.010	0.000
O6	2.185	-0.191	-0.000
C7	0.059	1.141	0.000
H8	0.100	1.755	-0.886
H9	0.100	1.755	0.886
C10	-0.948	0.030	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0706	1.0704	2.4100	3.2759	4.4190	2.6346	3.1445	3.1445	1.2993
H2	1.0706		1.8466	2.6979	3.8552	4.9236	3.5413	4.0908	4.0908	2.0649
H3	1.0704	1.8466		3.3602	3.9953	5.1557	2.9896	3.3024	3.3024	2.0544
O4	2.4100	2.6979	3.3602		1.3626	2.2678	2.0833	2.8395	2.8395	1.3898
C5	3.2759	3.8552	3.9953	1.3626		1.1605	1.5119	2.1870	2.1870	1.9873
O6	4.4190	4.9236	5.1557	2.2678	1.1605		2.5096	2.9873	2.9873	3.1410
C7	2.6346	3.5413	2.9896	2.0833	1.5119	2.5096		1.0789	1.0789	1.4991
H8	3.1445	4.0908	3.3024	2.8395	2.1870	2.9873	1.0789		1.7725	2.2041
H9	3.1445	4.0908	3.3024	2.8395	2.1870	2.9873	1.0789	1.7725		2.2041
C10	1.2993	2.0649	2.0544	1.3898	1.9873	3.1410	1.4991	2.2041	2.2041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.296	C1	C10	C7	140.490
H2	C1	H3	119.192	H2	C1	C10	120.909
H3	C1	C10	119.899	O4	C5	O6	127.831
O4	C5	C7	92.746	O4	C10	C7	92.215
C5	O4	C10	92.441	C5	C7	H8	114.115
C5	C7	H9	114.114	C5	C7	C10	82.599
O6	C5	C7	139.424	H8	C7	H9	110.460
H8	C7	C10	116.563	H9	C7	C10	116.562

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

using model chemistry: HF/Def2TZVPP

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	-0.177
2	H	0.090
3	H	0.078
4	O	-0.331
5	C	0.452
6	O	-0.374
7	C	-0.054
8	H	0.079
9	H	0.079
10	C	0.157

	x	y	z	Total
	-2.969	2.518	0.000	3.893
CHELPG
AIM
ESP

	x	y	z
x	10.316	0.346	0.000
y	0.346	6.100	0.000
z	0.000	0.000	4.795

<r²>	142.731
(<r²>)^1/2	11.947

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

using model chemistry: HF/Def2TZVPP

States and conformations

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