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	hartrees
Energy at 0K	-305.275266
Energy at 298.15K	-305.279974
Nuclear repulsion energy	215.547581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3169	1.19
2	A	3095	3085	0.08
3	A	3046	3037	0.91
4	A	3002	2993	3.60
5	A	1875	1869	329.56
6	A	1695	1690	281.21
7	A	1408	1404	8.94
8	A	1388	1384	4.58
9	A	1202	1199	63.68
10	A	1172	1169	0.87
11	A	1084	1081	0.89
12	A	963	960	91.51
13	A	950	947	1.92
14	A	947	944	4.23
15	A	828	825	136.65
16	A	827	824	51.46
17	A	771	768	86.69
18	A	709	707	0.26
19	A	648	646	0.04
20	A	507	506	2.10
21	A	492	491	3.67
22	A	447	445	4.59
23	A	307	306	0.78
24	A	134	133	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-2.279	-0.151	-0.000
H2	-2.709	-1.149	-0.000
H3	-2.949	0.703	-0.000
O4	0.038	-0.985	0.000
C5	1.067	0.001	0.000
O6	2.246	-0.182	-0.000
C7	0.050	1.154	0.000
H8	0.084	1.784	-0.895
H9	0.084	1.783	0.896
C10	-0.967	0.032	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0857	1.0853	2.4626	3.3497	4.5251	2.6700	3.1829	3.1828	1.3254
H2	1.0857		1.8667	2.7514	3.9466	5.0476	3.5932	4.1471	4.1469	2.1044
H3	1.0853	1.8667		3.4307	4.0770	5.2696	3.0327	3.3420	3.3421	2.0927
O4	2.4626	2.7514	3.4307		1.4247	2.3491	2.1389	2.9102	2.9099	1.4296
C5	3.3497	3.9466	4.0770	1.4247		1.1927	1.5380	2.2246	2.2243	2.0339
O6	4.5251	5.0476	5.2696	2.3491	1.1927		2.5705	3.0560	3.0561	3.2195
C7	2.6700	3.5932	3.0327	2.1389	1.5380	2.5705		1.0952	1.0952	1.5138
H8	3.1829	4.1471	3.3420	2.9102	2.2246	3.0560	1.0952		1.7911	2.2301
H9	3.1828	4.1469	3.3421	2.9099	2.2243	3.0561	1.0952	1.7911		2.2298
C10	1.3254	2.1044	2.0927	1.4296	2.0339	3.2195	1.5138	2.2301	2.2298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.684	C1	C10	C7	140.143
H2	C1	H3	118.600	H2	C1	C10	121.252
H3	C1	C10	120.148	O4	C5	O6	127.438
O4	C5	C7	92.350	O4	C10	C7	93.173
C5	O4	C10	90.890	C5	C7	H8	114.251
C5	C7	H9	114.229	C5	C7	C10	83.586
O6	C5	C7	140.212	H8	C7	H9	109.708
H8	C7	C10	116.555	H9	C7	C10	116.530

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

using model chemistry: BLYP/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	-0.307
2	H	0.116
3	H	0.113
4	O	-0.191
5	C	0.248
6	O	-0.200
7	C	-0.237
8	H	0.117
9	H	0.117
10	C	0.224

	x	y	z	Total
	-2.479	2.234	0.000	3.337
CHELPG
AIM
ESP

<r²>	148.112
(<r²>)^1/2	12.170

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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