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	hartrees
Energy at 0K	-305.005669
Energy at 298.15K	-305.010396
Nuclear repulsion energy	216.477265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3173	0.41
2	A	3104	3083	0.52
3	A	3067	3045	0.06
4	A	3016	2995	2.07
5	A	1901	1888	337.77
6	A	1716	1704	285.87
7	A	1385	1376	10.00
8	A	1366	1357	5.47
9	A	1223	1215	70.94
10	A	1157	1149	1.87
11	A	1076	1068	0.93
12	A	981	974	86.91
13	A	961	955	26.11
14	A	941	934	2.20
15	A	856	850	144.02
16	A	816	810	53.08
17	A	794	788	45.06
18	A	710	705	0.43
19	A	655	650	0.09
20	A	512	509	2.47
21	A	491	487	3.92
22	A	445	442	4.33
23	A	308	306	0.65
24	A	132	131	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-2.270	-0.152	-0.000
H2	-2.697	-1.153	-0.000
H3	-2.939	0.706	-0.000
O4	0.038	-0.979	-0.000
C5	1.057	-0.001	0.000
O6	2.235	-0.183	0.000
C7	0.051	1.150	0.000
H8	0.086	1.780	-0.897
H9	0.086	1.780	0.897
C10	-0.958	0.033	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0881	1.0875	2.4513	3.3305	4.5050	2.6612	3.1766	3.1766	1.3249
H2	1.0881		1.8739	2.7399	3.9267	5.0261	3.5851	4.1417	4.1417	2.1045
H3	1.0875	1.8739		3.4202	4.0581	5.2497	3.0231	3.3338	3.3338	2.0921
O4	2.4513	2.7399	3.4202		1.4130	2.3370	2.1288	2.9019	2.9019	1.4195
C5	3.3305	3.9267	4.0581	1.4130		1.1919	1.5281	2.2179	2.2179	2.0154
O6	4.5050	5.0261	5.2497	2.3370	1.1919		2.5584	3.0458	3.0457	3.2002
C7	2.6612	3.5851	3.0231	2.1288	1.5281	2.5584		1.0973	1.0973	1.5053
H8	3.1766	4.1417	3.3338	2.9019	2.2179	3.0458	1.0973		1.7947	2.2248
H9	3.1766	4.1417	3.3338	2.9019	2.2179	3.0457	1.0973	1.7947		2.2248
C10	1.3249	2.1045	2.0921	1.4195	2.0154	3.2002	1.5053	2.2248	2.2248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.529	C1	C10	C7	140.108
H2	C1	H3	118.932	H2	C1	C10	121.106
H3	C1	C10	119.962	O4	C5	O6	127.370
O4	C5	C7	92.652	O4	C10	C7	93.363
C5	O4	C10	90.719	C5	C7	H8	114.297
C5	C7	H9	114.295	C5	C7	C10	83.266
O6	C5	C7	139.978	H8	C7	H9	109.727
H8	C7	C10	116.608	H9	C7	C10	116.608

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

using model chemistry: PBEPBE/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	-0.303
2	H	0.122
3	H	0.119
4	O	-0.150
5	C	0.212
6	O	-0.193
7	C	-0.225
8	H	0.120
9	H	0.120
10	C	0.177

	x	y	z	Total
	-2.456	2.177	0.000	3.283
CHELPG
AIM
ESP

	x	y	z
x	11.452	0.317	0.000
y	0.317	6.791	0.000
z	0.000	0.000	4.744

<r²>	146.770
(<r²>)^1/2	12.115

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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