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	hartrees
Energy at 0K	-303.604579
Energy at 298.15K	-303.609799
HF Energy	-303.604579
Nuclear repulsion energy	220.620439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3401	3077	1.40
2	A	3311	2995	0.47
3	A	3287	2974	0.76
4	A	3233	2925	3.17
5	A	2123	1920	530.57
6	A	1905	1723	402.12
7	A	1571	1421	11.93
8	A	1539	1392	6.87
9	A	1411	1276	110.99
10	A	1333	1206	6.99
11	A	1218	1102	2.73
12	A	1161	1050	243.72
13	A	1089	985	8.14
14	A	1077	974	10.64
15	A	1018	921	166.37
16	A	995	900	59.62
17	A	889	805	4.02
18	A	802	726	0.04
19	A	736	666	2.09
20	A	579	524	5.32
21	A	568	514	12.15
22	A	502	454	6.00
23	A	350	317	1.92
24	A	139	126	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.236	-0.161	-0.000
H2	-2.651	-1.149	-0.000
H3	-2.897	0.681	-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	0.887
C10	-0.946	0.027	-0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0717	1.0709	2.4112	3.2776	4.4224	2.6429	3.1499	3.1499	1.3037
H2	1.0717		1.8467	2.7057	3.8604	4.9309	3.5536	4.0997	4.0997	2.0716
H3	1.0709	1.8467		3.3600	3.9965	5.1584	2.9934	3.3033	3.3033	2.0581
O4	2.4112	2.7057	3.3600		1.3566	2.2660	2.0879	2.8436	2.8436	1.3848
C5	3.2776	3.8604	3.9965	1.3566		1.1620	1.5199	2.1978	2.1978	1.9847
O6	4.4224	4.9309	5.1584	2.2660	1.1620		2.5154	2.9977	2.9977	3.1400
C7	2.6429	3.5536	2.9934	2.0879	1.5199	2.5154		1.0792	1.0792	1.5064
H8	3.1499	4.0997	3.3033	2.8436	2.1978	2.9977	1.0792		1.7745	2.2097
H9	3.1499	4.0997	3.3033	2.8436	2.1978	2.9977	1.0792	1.7745		2.2097
C10	1.3037	2.0716	2.0581	1.3848	1.9847	3.1400	1.5064	2.2097	2.2097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.467	C1	C10	C7	140.163
H2	C1	H3	119.063	H2	C1	C10	121.100
H3	C1	C10	119.836	O4	C5	O6	128.067
O4	C5	C7	92.904	O4	C10	C7	92.370
C5	O4	C10	92.763	C5	C7	H8	114.408
C5	C7	H9	114.408	C5	C7	C10	81.963
O6	C5	C7	139.029	H8	C7	H9	110.594
H8	C7	C10	116.458	H9	C7	C10	116.458

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

using model chemistry: HF/daug-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	-1.777
2	H	0.869
3	H	0.491
4	O	-0.626
5	C	1.696
6	O	-1.505
7	C	-1.323
8	H	0.297
9	H	0.297
10	C	1.582

	x	y	z	Total
	-3.004	2.496	0.000	3.906
CHELPG
AIM
ESP

	x	y	z
x	10.593	0.318	0.000
y	0.318	6.529	0.000
z	0.000	0.000	5.278

<r²>	142.837
(<r²>)^1/2	11.951

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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