WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry	CH2O
Symmetry	C2V
Basis	6-31G(d)
RB3LYP Energy	-114.500472755 Hartree
Dipole Moment	2.1866 Debye
Server	localhost (0)
CPU time	0.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	285.1329232	9.51101055384
b	38.6360088	1.28875853174
c	34.0254948	1.13496833866

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy	Actions
1	A1	2	-	-19.16976 Ha
2	A1	2	-	-10.28907 Ha
3	A1	2	-	-1.06084 Ha
4	A1	2	-	-0.63757 Ha
5	B2	2	-	-0.49532 Ha
6	A1	2	-	-0.44955 Ha
7	B1	2	-	-0.39919 Ha
8	B2	2	-	-0.2685 Ha
9	B1	0	-	-0.04212 Ha
10	A1	0	-	0.10127 Ha
11	B2	0	-	0.18204 Ha
12	A1	0	-	0.21874 Ha
13	B1	0	-	0.50658 Ha
14	A1	0	-	0.62357 Ha
15	B2	0	-	0.62676 Ha
16	A1	0	-	0.69398 Ha
17	B2	0	-	0.8139 Ha
18	A1	0	-	0.83715 Ha
19	A1	0	-	0.89057 Ha
20	B1	0	-	0.96009 Ha
21	B2	0	-	1.05915 Ha
22	A1	0	-	1.37729 Ha
23	A2	0	-	1.50577 Ha
24	B1	0	-	1.51005 Ha
25	A1	0	-	1.68172 Ha
26	B2	0	-	1.84997 Ha
27	A2	0	-	1.93139 Ha
28	A1	0	-	2.12619 Ha
29	A1	0	-	2.27908 Ha
30	B1	0	-	2.54103 Ha
31	B2	0	-	2.65692 Ha
32	A1	0	-	2.91075 Ha
33	A1	0	-	3.68303 Ha
34	A1	0	-	4.05555 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

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