## page was renamed from AJMGrpOnly/camcasp/multipoles/h2o-aqz-isa-moments
## page was renamed from ajm/camcasp/multipoles/h2o-aqz-isa-moments
#acl +All:read apw185:read,write,delete Known:read All:

<<TableOfContents()>>

= H$_2$O ISA/$\zeta=0.1$ aQZ/set2 PBE0/AC moments  =

[[attachment:H$_2$O multipole moments]]

{{{
! Multipole moments for H2O
! Based on DF-type : ISA
 
   O     0.00000000     0.00000000     0.00000000     Type    O      Rank   4
      -0.805948
       0.181288       0.000000       0.000000
      -0.054462       0.000000       0.000000       0.549633       0.000000
      -0.090145       0.000000       0.000000       0.069592       0.000000
                      0.000000       0.000000
      -0.386324       0.000000       0.000000       0.456414       0.000000
                      0.000000       0.000000       0.059674       0.000000
 
  H1    -1.45365196     0.00000000    -1.12168732     Type    H      Rank   4
       0.402974
      -0.008839      -0.017784       0.000000
       0.001421       0.020045       0.000000       0.010832       0.000000
      -0.006919      -0.026292       0.000000      -0.039199       0.000000
                     -0.072935       0.000000
       0.052403      -0.013113       0.000000      -0.073603       0.000000
                     -0.029012       0.000000      -0.080175       0.000000
 
  H2     1.45365196     0.00000000    -1.12168732     Type    H      Rank   4
       0.402974
      -0.008839       0.017783       0.000000
       0.001421      -0.020045       0.000000       0.010832       0.000000
      -0.006919       0.026292       0.000000      -0.039199       0.000000
                      0.072936       0.000000
       0.052403       0.013113       0.000000      -0.073603       0.000000
                      0.029012       0.000000      -0.080175       0.000000
 
}}}