WebMO Job Summary

Quantity	Value
Route	#N B3LYP/genecp SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry	Cl3Pt(1-)
Symmetry	C2V
RB3LYP Energy	-164.175963537 Hartree
Dipole Moment	2.1321 Debye
Server	localhost (2989)
CPU time	2.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.7283435	0.09100774310
b	1.2103193	0.04037190622
c	0.8383980	0.02796594703

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy	Actions
1	A1	2	-	-3.79573 Ha
2	B2	2	-	-2.0264 Ha
3	A1	2	-	-2.02448 Ha
4	B1	2	-	-1.98057 Ha
5	A1	2	-	-0.62206 Ha
6	A1	2	-	-0.60657 Ha
7	B2	2	-	-0.5996 Ha
8	A1	2	-	-0.23623 Ha
9	A1	2	-	-0.22582 Ha
10	B2	2	-	-0.21106 Ha
11	A2	2	-	-0.17695 Ha
12	B1	2	-	-0.17548 Ha
13	B2	2	-	-0.16841 Ha
14	A1	2	-	-0.14446 Ha
15	B1	2	-	-0.1427 Ha
16	B2	2	-	-0.13109 Ha
17	B1	2	-	-0.11216 Ha
18	A1	2	-	-0.10911 Ha
19	B2	2	-	-0.106 Ha
20	A2	2	-	-0.09227 Ha
21	A1	0	-	-0.01329 Ha
22	A1	0	-	0.10499 Ha
23	B1	0	-	0.14477 Ha
24	A1	0	-	0.16358 Ha
25	B2	0	-	0.17107 Ha
26	B1	0	-	0.25684 Ha
27	A1	0	-	0.31556 Ha
28	B2	0	-	0.38727 Ha
29	B1	0	-	0.52449 Ha
30	A2	0	-	0.55301 Ha
31	B2	0	-	0.56128 Ha
32	A1	0	-	0.56553 Ha
33	A1	0	-	0.68317 Ha
34	A1	0	-	0.85375 Ha
35	B2	0	-	0.85498 Ha
36	B1	0	-	0.89198 Ha
37	A1	0	-	0.90797 Ha
38	B1	0	-	0.91686 Ha
39	A2	0	-	0.92329 Ha
40	B2	0	-	0.9466 Ha
41	A1	0	-	1.00337 Ha
42	B2	0	-	1.00693 Ha
43	A1	0	-	2.65499 Ha
44	A1	0	-	7.79225 Ha
45	B2	0	-	8.0995 Ha
46	A1	0	-	9.95595 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

IT IS THE GODS' CUSTOM TO BRING LOW ALL THINGS OF SURPASSING GREATNESS. -- HERODOTUS IT IS THE LOFTY PINE THAT BY THE STORM IS OFTENER TOSSED; TOWERS FALL WITH HEAVIER CRASH WHICH HIGHER SOAR. -- HORACE THE BIGGER THEY COME, THE HARDER THEY FALL. -- BOB FITZSIMONS HEAVYWEIGHT CHAMPION, 1897-1899