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	hartrees
Energy at 0K	-55.628415
Energy at 298.15K	-55.633537
Nuclear repulsion energy	113.935026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3446	3094	7.86
2	A	3369	3025	6.95
3	A	3364	3021	0.80
4	A	3297	2960	8.75
5	A	2141	1923	564.98
6	A	1936	1738	391.82
7	A	1589	1427	15.08
8	A	1533	1377	5.35
9	A	1414	1270	148.59
10	A	1342	1205	16.95
11	A	1223	1098	2.35
12	A	1166	1047	293.39
13	A	1075	965	14.74
14	A	1069	960	7.42
15	A	1012	909	116.66
16	A	970	871	86.35
17	A	890	800	4.48
18	A	787	707	0.31
19	A	733	658	3.07
20	A	563	506	6.59
21	A	560	503	9.29
22	A	478	430	6.38
23	A	331	298	1.92
24	A	137	123	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	-2.265	-0.166	-0.000
H2	-2.681	-1.164	-0.000
H3	-2.929	0.684	-0.000
O4	0.055	-0.954	0.000
C5	1.058	-0.025	0.000
O6	2.223	-0.215	-0.000
C7	0.075	1.156	0.000
H8	0.114	1.769	-0.894
H9	0.114	1.769	0.895
C10	-0.941	0.023	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0808	1.0791	2.4503	3.3263	4.4886	2.6879	3.1947	3.1947	1.3373
H2	1.0808		1.8647	2.7440	3.9086	4.9950	3.6023	4.1489	4.1489	2.1060
H3	1.0791	1.8647		3.4045	4.0501	5.2305	3.0415	3.3526	3.3527	2.0951
O4	2.4503	2.7440	3.4045		1.3671	2.2905	2.1096	2.8666	2.8663	1.3955
C5	3.3263	3.9086	4.0501	1.3671		1.1805	1.5361	2.2157	2.2154	2.0000
O6	4.4886	4.9950	5.2305	2.2905	1.1805		2.5481	3.0306	3.0306	3.1735
C7	2.6879	3.6023	3.0415	2.1096	1.5361	2.5481		1.0852	1.0852	1.5218
H8	3.1947	4.1489	3.3526	2.8666	2.2157	3.0306	1.0852		1.7890	2.2276
H9	3.1947	4.1489	3.3527	2.8663	2.2154	3.0306	1.0852	1.7890		2.2274
C10	1.3373	2.1060	2.0951	1.3955	2.0000	3.1735	1.5218	2.2276	2.2274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.423	C1	C10	C7	140.054
H2	C1	H3	119.388	H2	C1	C10	120.758
H3	C1	C10	119.854	O4	C5	O6	127.921
O4	C5	C7	93.025	O4	C10	C7	92.522
C5	O4	C10	92.761	C5	C7	H8	114.297
C5	C7	H9	114.278	C5	C7	C10	81.692
O6	C5	C7	139.054	H8	C7	H9	111.030
H8	C7	C10	116.396	H9	C7	C10	116.378

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

using model chemistry: HF/CEP-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
1	C	-0.386
2	H	0.196
3	H	0.210
4	O	-0.179
5	C	-0.027
6	O	-0.141
7	C	0.037
8	H	0.169
9	H	0.168
10	C	-0.048

	x	y	z	Total
	-3.115	2.732	0.000	4.144
CHELPG
AIM
ESP

	x	y	z
x	10.149	0.400	0.000
y	0.400	5.400	0.000
z	0.000	0.000	3.759

<r²>	117.180
(<r²>)^1/2	10.825

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

using model chemistry: HF/CEP-31G*

States and conformations

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