WebMO Job Summary
73: H2ClPt, Molecular Orbitals - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
Overview
Quantity
Value
Route
#N B3LYP/genecp SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry
ClH
2
Pt(1-)
Symmetry
C2V
RB3LYP Energy
-135.33975291 Hartree
Dipole Moment
2.9940 Debye
Server
localhost (2812)
CPU time
1.9 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
88.5709696
2.95440953354
b
2.8168966
0.09396155656
c
2.7300699
0.09106532960
Molecular Orbitals
Show all
Orbital
Symmetry
Occupancy
Spin
Energy
Actions
1
A1
2
-
-3.73307 Ha
2
A1
2
-
-1.96216 Ha
3
B2
2
-
-1.95718 Ha
4
B1
2
-
-1.92293 Ha
5
A1
2
-
-0.57506 Ha
6
A1
2
-
-0.20546 Ha
7
A1
2
-
-0.17529 Ha
8
B2
2
-
-0.1354 Ha
9
B1
2
-
-0.1284 Ha
10
B2
2
-
-0.08668 Ha
11
A2
2
-
-0.07311 Ha
12
B1
2
-
-0.06403 Ha
13
A1
2
-
-0.05624 Ha
14
B2
2
-
-0.04304 Ha
15
A1
0
-
0.03303 Ha
16
B1
0
-
0.14388 Ha
17
A1
0
-
0.15759 Ha
18
B2
0
-
0.19038 Ha
19
B1
0
-
0.28668 Ha
20
A1
0
-
0.29687 Ha
21
A1
0
-
0.35922 Ha
22
B2
0
-
0.46022 Ha
23
A2
0
-
0.53649 Ha
24
B2
0
-
0.55029 Ha
25
B1
0
-
0.56483 Ha
26
A1
0
-
0.60778 Ha
27
A1
0
-
0.78313 Ha
28
B1
0
-
0.93571 Ha
29
A1
0
-
0.94397 Ha
30
B2
0
-
0.94652 Ha
31
A1
0
-
1.20767 Ha
32
B2
0
-
1.28103 Ha
33
A1
0
-
2.35086 Ha
34
A1
0
-
8.08797 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density
Quote
E PUR SI MUOVE -- GALILEO GALILEI