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	hartrees
Energy at 0K	-303.604076
Energy at 298.15K	-303.609320
Nuclear repulsion energy	220.619879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3401	3096	1.43
2	A	3311	3015	0.48
3	A	3288	2993	0.75
4	A	3234	2944	3.17
5	A	2123	1932	530.83
6	A	1905	1735	402.64
7	A	1571	1430	11.91
8	A	1539	1401	6.84
9	A	1411	1284	110.90
10	A	1333	1214	7.03
11	A	1218	1109	2.75
12	A	1161	1057	244.17
13	A	1089	992	8.23
14	A	1077	981	10.57
15	A	1018	927	166.49
16	A	996	906	59.48
17	A	890	810	4.03
18	A	803	731	0.03
19	A	736	670	2.10
20	A	579	527	5.34
21	A	568	517	12.26
22	A	502	457	6.00
23	A	350	319	1.93
24	A	139	127	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	-2.236	-0.161	-0.000
H2	-2.652	-1.149	-0.000
H3	-2.897	0.682	-0.000
O4	0.046	-0.939	0.000
C5	1.038	-0.014	-0.000
O6	2.186	-0.194	0.000
C7	0.059	1.149	0.000
H8	0.095	1.762	-0.887
H9	0.095	1.762	0.888
C10	-0.946	0.027	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0716	1.0709	2.4112	3.2776	4.4223	2.6427	3.1496	3.1496	1.3037
H2	1.0716		1.8466	2.7065	3.8609	4.9315	3.5538	4.0996	4.0996	2.0719
H3	1.0709	1.8466		3.3598	3.9960	5.1579	2.9927	3.3024	3.3025	2.0578
O4	2.4112	2.7065	3.3598		1.3567	2.2659	2.0880	2.8438	2.8436	1.3848
C5	3.2776	3.8609	3.9960	1.3567		1.1620	1.5199	2.1979	2.1978	1.9846
O6	4.4223	4.9315	5.1579	2.2659	1.1620		2.5155	2.9979	2.9978	3.1399
C7	2.6427	3.5538	2.9927	2.0880	1.5199	2.5155		1.0792	1.0792	1.5064
H8	3.1496	4.0996	3.3024	2.8438	2.1979	2.9979	1.0792		1.7746	2.2096
H9	3.1496	4.0996	3.3025	2.8436	2.1978	2.9978	1.0792	1.7746		2.2095
C10	1.3037	2.0719	2.0578	1.3848	1.9846	3.1399	1.5064	2.2096	2.2095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.475	C1	C10	C7	140.146
H2	C1	H3	119.055	H2	C1	C10	121.137
H3	C1	C10	119.809	O4	C5	O6	128.053
O4	C5	C7	92.910	O4	C10	C7	92.379
C5	O4	C10	92.753	C5	C7	H8	114.413
C5	C7	H9	114.407	C5	C7	C10	81.958
O6	C5	C7	139.037	H8	C7	H9	110.607
H8	C7	C10	116.453	H9	C7	C10	116.447

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

using model chemistry: HF/aug-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	-1.296
2	H	0.473
3	H	0.300
4	O	-0.362
5	C	0.378
6	O	-0.636
7	C	-0.276
8	H	0.327
9	H	0.327
10	C	0.765

	x	y	z	Total
	-3.007	2.499	-0.000	3.910
CHELPG
AIM
ESP

	x	y	z
x	10.593	0.318	0.000
y	0.318	6.516	0.000
z	0.000	0.000	5.263

<r²>	142.839
(<r²>)^1/2	11.952

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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