WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry	CSe
Symmetry	C*V
Basis	6-31G(d)
RB3LYP Energy	-2437.37825232 Hartree
Dipole Moment	1.8114 Debye
Server	localhost (16752)
CPU time	1.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.0000000	0.00000000000
b	17.1554962	0.57224575676
c	17.1554962	0.57224575676

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy	Actions
1	-	2	-	-453.88588 Ha
2	-	2	-	-57.48863 Ha
3	-	2	-	-52.17256 Ha
4	-	2	-	-52.17182 Ha
5	-	2	-	-52.17182 Ha
6	-	2	-	-10.28738 Ha
7	-	2	-	-7.74955 Ha
8	-	2	-	-5.7907 Ha
9	-	2	-	-5.79017 Ha
10	-	2	-	-5.79017 Ha
11	-	2	-	-2.14875 Ha
12	-	2	-	-2.1466 Ha
13	-	2	-	-2.1466 Ha
14	-	2	-	-2.14608 Ha
15	-	2	-	-2.14608 Ha
16	-	2	-	-0.79071 Ha
17	-	2	-	-0.51046 Ha
18	-	2	-	-0.32402 Ha
19	-	2	-	-0.32402 Ha
20	-	2	-	-0.29593 Ha
21	-	0	-	-0.08774 Ha
22	-	0	-	-0.08774 Ha
23	-	0	-	0.08321 Ha
24	-	0	-	0.20508 Ha
25	-	0	-	0.39902 Ha
26	-	0	-	0.39902 Ha
27	-	0	-	0.41787 Ha
28	-	0	-	0.41787 Ha
29	-	0	-	0.44094 Ha
30	-	0	-	0.50331 Ha
31	-	0	-	0.50331 Ha
32	-	0	-	0.50565 Ha
33	-	0	-	0.58569 Ha
34	-	0	-	0.58569 Ha
35	-	0	-	0.85122 Ha
36	-	0	-	0.91003 Ha
37	-	0	-	1.40021 Ha
38	-	0	-	1.68806 Ha
39	-	0	-	1.68806 Ha
40	-	0	-	1.84832 Ha
41	-	0	-	1.84832 Ha
42	-	0	-	2.20062 Ha
43	-	0	-	3.92801 Ha
44	-	0	-	7.85908 Ha
45	-	0	-	69.28453 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

I DO NOT KNOW WHAT I MAY APPEAR TO THE WORLD; BUT TO MYSELF I SEEM TO HAVE BEEN ONLY LIKE A BOY PLAYING ON THE SEASHORE, AND DIVERTING MYSELF IN NOW AND THEN FINDING A SMOOTHER PEBBLE OR A PRETTIER SHELL THAN ORDINARY, WHILST THE GREAT OCEAN OF TRUTH LAY ALL UNDISCOVERED BEFORE ME. -- NEWTON (1642-1726)