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	hartrees
Energy at 0K	-303.646452
Energy at 298.15K	-303.651224
Nuclear repulsion energy	218.551340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3170	0.37
2	A	3123	3073	4.44
3	A	3088	3039	0.81
4	A	3029	2980	1.35
5	A	1981	1950	332.45
6	A	1775	1747	253.88
7	A	1361	1339	10.43
8	A	1342	1320	9.33
9	A	1262	1242	73.52
10	A	1140	1122	4.76
11	A	1063	1046	0.64
12	A	1022	1006	93.65
13	A	990	974	65.35
14	A	943	928	5.04
15	A	901	886	88.40
16	A	814	801	7.88
17	A	813	800	49.33
18	A	718	706	0.72
19	A	672	661	0.71
20	A	517	509	3.10
21	A	499	491	4.22
22	A	451	444	3.06
23	A	308	303	0.57
24	A	139	137	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.248	-0.156	-0.000
H2	-2.670	-1.162	-0.000
H3	-2.923	0.699	-0.000
O4	0.038	-0.960	-0.000
C5	1.044	-0.002	0.000
O6	2.213	-0.189	0.000
C7	0.050	1.143	0.000
H8	0.086	1.779	-0.898
H9	0.086	1.778	0.898
C10	-0.944	0.031	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0910	1.0901	2.4229	3.2953	4.4612	2.6403	3.1619	3.1619	1.3170
H2	1.0910		1.8790	2.7156	3.8908	4.9793	3.5661	4.1293	4.1293	2.0980
H3	1.0901	1.8790		3.3941	4.0284	5.2125	3.0065	3.3205	3.3205	2.0888
O4	2.4229	2.7156	3.3941		1.3886	2.3077	2.1027	2.8820	2.8819	1.3947
C5	3.2953	3.8908	4.0284	1.3886		1.1842	1.5160	2.2124	2.2124	1.9883
O6	4.4612	4.9793	5.2125	2.3077	1.1842		2.5399	3.0334	3.0334	3.1650
C7	2.6403	3.5661	3.0065	2.1027	1.5160	2.5399		1.1008	1.1008	1.4924
H8	3.1619	4.1293	3.3205	2.8820	2.2124	3.0334	1.1008		1.7965	2.2188
H9	3.1619	4.1293	3.3205	2.8819	2.2124	3.0334	1.1008	1.7965		2.2188
C10	1.3170	2.0980	2.0888	1.3947	1.9883	3.1650	1.4924	2.2188	2.2188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.607	C1	C10	C7	139.964
H2	C1	H3	118.967	H2	C1	C10	120.925
H3	C1	C10	120.109	O4	C5	O6	127.350
O4	C5	C7	92.653	O4	C10	C7	93.429
C5	O4	C10	91.184	C5	C7	H8	114.512
C5	C7	H9	114.510	C5	C7	C10	82.734
O6	C5	C7	139.997	H8	C7	H9	109.375
H8	C7	C10	116.857	H9	C7	C10	116.854

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.532
2	H	0.160
3	H	0.156
4	O	-0.154
5	C	0.375
6	O	-0.250
7	C	-0.597
8	H	0.199
9	H	0.199
10	C	0.444

	x	y	z	Total
	-2.419	2.073	0.000	3.186
CHELPG
AIM
ESP

	x	y	z
x	10.580	0.321	0.000
y	0.321	6.259	0.000
z	0.000	0.000	4.130

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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