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	hartrees
Energy at 0K	-305.121716
Energy at 298.15K	-305.126606
HF Energy	-304.761646
Nuclear repulsion energy	217.701127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3153	0.26
2	A	3192	3062	0.71
3	A	3165	3036	0.14
4	A	3109	2982	2.00
5	A	1945	1866	337.74
6	A	1763	1692	301.85
7	A	1456	1397	10.82
8	A	1431	1373	4.64
9	A	1269	1217	75.75
10	A	1217	1168	0.11
11	A	1126	1081	1.17
12	A	1024	983	145.32
13	A	994	954	2.95
14	A	989	948	2.64
15	A	899	863	168.65
16	A	868	833	55.55
17	A	819	786	35.89
18	A	741	711	0.15
19	A	676	649	0.19
20	A	530	508	2.54
21	A	515	494	5.19
22	A	461	442	4.41
23	A	319	306	0.84
24	A	132	127	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	-2.259	-0.154	-0.000
H2	-2.678	-1.148	-0.000
H3	-2.924	0.693	-0.000
O4	0.040	-0.969	0.000
C5	1.050	-0.005	-0.000
O6	2.222	-0.185	-0.000
C7	0.053	1.150	0.000
H8	0.088	1.771	-0.891
H9	0.088	1.771	0.891
C10	-0.955	0.033	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0782	1.0774	2.4388	3.3121	4.4805	2.6539	3.1635	3.1636	1.3174
H2	1.0782		1.8572	2.7236	3.8989	4.9930	3.5684	4.1185	4.1185	2.0887
H3	1.0774	1.8572		3.3982	4.0350	5.2202	3.0117	3.3210	3.3210	2.0770
O4	2.4388	2.7236	3.3982		1.3959	2.3181	2.1184	2.8813	2.8813	1.4119
C5	3.3121	3.8989	4.0350	1.3959		1.1854	1.5258	2.2076	2.2076	2.0052
O6	4.4805	4.9930	5.2202	2.3181	1.1854		2.5467	3.0285	3.0285	3.1839
C7	2.6539	3.5684	3.0117	2.1184	1.5258	2.5467		1.0867	1.0867	1.5040
H8	3.1635	4.1185	3.3210	2.8813	2.2076	3.0285	1.0867		1.7816	2.2139
H9	3.1636	4.1185	3.3210	2.8813	2.2076	3.0285	1.0867	1.7816		2.2139
C10	1.3174	2.0887	2.0770	1.4119	2.0052	3.1839	1.5040	2.2139	2.2139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.624	C1	C10	C7	140.238
H2	C1	H3	118.995	H2	C1	C10	121.041
H3	C1	C10	119.964	O4	C5	O6	127.612
O4	C5	C7	92.841	O4	C10	C7	93.139
C5	O4	C10	91.146	C5	C7	H8	114.298
C5	C7	H9	114.297	C5	C7	C10	82.875
O6	C5	C7	139.547	H8	C7	H9	110.123
H8	C7	C10	116.507	H9	C7	C10	116.506

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

using model chemistry: B2PLYP/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	-0.373
2	H	0.148
3	H	0.141
4	O	-0.233
5	C	0.319
6	O	-0.263
7	C	-0.251
8	H	0.139
9	H	0.139
10	C	0.236

	x	y	z
x	10.944	0.310	0.000
y	0.310	6.470	-0.000
z	0.000	-0.000	4.610

<r²>	145.596
(<r²>)^1/2	12.066

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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