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	hartrees
Energy at 0K	-305.135176
Energy at 298.15K	-305.140046
Nuclear repulsion energy	218.183139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3308	3158	0.57
2	A	3209	3064	0.86
3	A	3178	3035	0.16
4	A	3118	2977	1.58
5	A	2005	1914	372.75
6	A	1808	1727	270.33
7	A	1447	1381	11.53
8	A	1420	1356	4.28
9	A	1302	1243	97.55
10	A	1209	1154	1.40
11	A	1114	1064	0.80
12	A	1056	1008	177.56
13	A	1009	963	10.44
14	A	982	938	6.18
15	A	928	886	114.34
16	A	859	820	55.60
17	A	835	798	9.80
18	A	739	706	0.01
19	A	681	650	1.02
20	A	532	508	3.57
21	A	509	486	4.10
22	A	459	438	3.86
23	A	319	304	0.74
24	A	133	127	1.03

Atom	x (Å)	y (Å)	z (Å)
C1	-2.255	-0.155	-0.000
H2	-2.674	-1.153	-0.000
H3	-2.924	0.694	-0.000
O4	0.041	-0.963	0.000
C5	1.043	-0.007	-0.000
O6	2.217	-0.186	-0.000
C7	0.054	1.148	0.000
H8	0.089	1.773	-0.894
H9	0.089	1.773	0.894
C10	-0.949	0.032	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0818	1.0812	2.4335	3.3016	4.4718	2.6512	3.1643	3.1643	1.3191
H2	1.0818		1.8633	2.7214	3.8902	4.9855	3.5686	4.1226	4.1226	2.0925
H3	1.0812	1.8633		3.3964	4.0289	5.2157	3.0121	3.3232	3.3233	2.0829
O4	2.4335	2.7214	3.3964		1.3858	2.3107	2.1117	2.8791	2.8790	1.4036
C5	3.3016	3.8902	4.0289	1.3858		1.1871	1.5213	2.2084	2.2084	1.9930
O6	4.4718	4.9855	5.2157	2.3107	1.1871		2.5419	3.0273	3.0273	3.1735
C7	2.6512	3.5686	3.0121	2.1117	1.5213	2.5419		1.0909	1.0909	1.5007
H8	3.1643	4.1226	3.3232	2.8791	2.2084	3.0273	1.0909		1.7873	2.2157
H9	3.1643	4.1226	3.3233	2.8790	2.2084	3.0273	1.0909	1.7873		2.2156
C10	1.3191	2.0925	2.0829	1.4036	1.9930	3.1735	1.5007	2.2157	2.2156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.684	C1	C10	C7	140.088
H2	C1	H3	118.958	H2	C1	C10	120.967
H3	C1	C10	120.075	O4	C5	O6	127.648
O4	C5	C7	93.056	O4	C10	C7	93.229
C5	O4	C10	91.197	C5	C7	H8	114.426
C5	C7	H9	114.424	C5	C7	C10	82.519
O6	C5	C7	139.297	H8	C7	H9	109.998
H8	C7	C10	116.615	H9	C7	C10	116.613

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

using model chemistry: B1B95/6-31G**

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	-0.372
2	H	0.143
3	H	0.133
4	O	-0.456
5	C	0.614
6	O	-0.422
7	C	-0.421
8	H	0.188
9	H	0.188
10	C	0.403

	x	y	z	Total
	-2.613	2.302	0.000	3.482
CHELPG
AIM
ESP

	x	y	z
x	10.149	0.336	0.000
y	0.336	5.760	0.000
z	0.000	0.000	3.600

<r²>	144.439
(<r²>)^1/2	12.018

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

using model chemistry: B1B95/6-31G**

States and conformations

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