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	hartrees
Energy at 0K	-305.035804
Energy at 298.15K	-305.040725
HF Energy	-305.035804
Nuclear repulsion energy	218.664661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3281	3154	0.18
2	A	3187	3063	1.11
3	A	3159	3036	0.00
4	A	3103	2982	1.66
5	A	1989	1911	394.89
6	A	1789	1719	315.42
7	A	1434	1378	11.39
8	A	1412	1357	6.46
9	A	1292	1242	88.37
10	A	1205	1159	0.82
11	A	1117	1073	1.27
12	A	1044	1003	155.30
13	A	1008	969	16.53
14	A	984	946	4.42
15	A	920	885	149.03
16	A	870	836	56.54
17	A	833	801	14.45
18	A	741	713	0.21
19	A	685	658	0.61
20	A	537	516	3.05
21	A	516	495	5.83
22	A	463	445	4.33
23	A	322	310	0.83
24	A	135	130	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-2.209	-0.091	-0.001
H2	-2.689	-1.016	-0.000
H3	-2.774	0.781	-0.000
O4	0.043	-1.003	0.002
C5	0.974	-0.024	0.001
O6	2.175	-0.110	-0.002
C7	0.050	1.088	0.001
H8	0.068	1.690	-0.905
H9	0.071	1.686	0.909
C10	-0.885	-0.012	-0.001

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0417	1.0391	2.4305	3.1837	4.3848	2.5488	3.0291	3.0310	1.3263
H2	1.0417		1.7988	2.7328	3.7949	4.9483	3.4541	3.9677	3.9680	2.0646
H3	1.0391	1.7988		3.3351	3.8332	5.0290	2.8411	3.1178	3.1208	2.0482
O4	2.4305	2.7328	3.3351		1.3510	2.3116	2.0912	2.8423	2.8388	1.3589
C5	3.1837	3.7949	3.8332	1.3510		1.2048	1.4449	2.1398	2.1366	1.8591
O6	4.3848	4.9483	5.0290	2.3116	1.2048		2.4393	2.9154	2.9130	3.0624
C7	2.5488	3.4541	2.8411	2.0912	1.4449	2.4393		1.0879	1.0880	1.4437
H8	3.0291	3.9677	3.1178	2.8423	2.1398	2.9154	1.0879		1.8139	2.1499
H9	3.0310	3.9680	3.1208	2.8388	2.1366	2.9130	1.0880	1.8139		2.1505
C10	1.3263	2.0646	2.0482	1.3589	1.8591	3.0624	1.4437	2.1499	2.1505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	129.678	C1	C10	C7	133.852
H2	C1	H3	119.644	H2	C1	C10	120.879
H3	C1	C10	119.477	O4	C5	O6	129.408
O4	C5	C7	96.769	O4	C10	C7	96.470
C5	O4	C10	86.637	C5	C7	H8	114.569
C5	C7	H9	114.294	C5	C7	C10	80.124
O6	C5	C7	133.823	H8	C7	H9	112.947
H8	C7	C10	115.539	H9	C7	C10	115.594

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

using model chemistry: HSEh1PBE/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	-0.336
2	H	0.134
3	H	0.131
4	O	-0.169
5	C	0.253
6	O	-0.224
7	C	-0.232
8	H	0.128
9	H	0.128
10	C	0.189

	x	y	z	Total
	-2.601	2.251	0.001	3.439
CHELPG
AIM
ESP

	x	y	z
x	10.870	0.318	0.000
y	0.318	6.455	0.000
z	0.000	0.000	4.618

<r²>	144.317
(<r²>)^1/2	12.013

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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