! EXAM 13.
!  This run duplicates the POLYATOM calculation of
!  D.Neumann + J.W.Moskowitz, J.Chem.Phys. 49,2056(1968)
!  SCF convergence is a bit better today, so some of the
!  results are not precisely the same.
!
!    V(NE) = -199.1343308944
!    V(EE) =   37.8955191906   T     =   75.9557605127
!    V(NN) =    9.2390200836   E(TOT)=  -76.0440311075
!  Mulliken charge(O)=-0.647398   Bond Order=0.905
!  Density:  O=286.491825    H=0.404989
!  Moments:  DZ= 2.093292
!    QXX=-2.388660   QYY= 2.495390   QZZ=-0.106730
!   OXXZ=-0.890363  OYYZ= 2.186855  OZZZ=-1.296492
!  The XXYY component of the Cumulative Atomic
!  Multipole Moments is -4.123862, for oxygen.
!  Electric field/gradient:   H(YZ)=+/-0.365168
!   O(Z)=-0.060033  H(Y)=+/-0.006572  H(Z)=0.001233
!   O(XX)=1.904862  O(YY)=-1.735887   O(ZZ)=-0.168975
!   H(XX)=0.301208  H(YY)=-0.258153  H(ZZ)=-0.043055
!  Potential:  V(O)=-22.330374    V(H)=-1.006648
!
 $CONTRL SCFTYP=RHF RUNTYP=ENERGY UNITS=BOHR ISPHER=1 $END
 $SYSTEM TIMLIM=1 $END
 $GUESS  GUESS=HUCKEL $END
 $ELMOM  IEMOM=3 IAMM=4 CUM=.TRUE. $END
 $ELFLDG IEFLD=2 $END
 $ELPOT  IEPOT=1 $END
 $ELDENS IEDEN=1 $END
 $DATA
Water...properties test...(10,5,2/4,1)/[5,3,2/2,1] basis
Cnv      2
 
Oxygen     8.0
  S    2
    1   31.3166          0.243991
    2   76.232           0.152763
  S    3
    1  290.785           0.904785
    2 1424.0643          0.121603
    3 4643.4485          0.029225
  S    2
    1    4.6037          0.264438
    2   12.8607          0.458240
  S    2
    1    0.9311          1.051534
    2    9.7044         -0.140314
  S    1
    1    0.2825          1.0
  P    3
    1    7.90403         0.124190
    2   35.1832          0.019580
    3    2.30512         0.394730
  P    1
    1    0.21373         1.0
  P    1
    1    0.71706         1.0
  D    1
    1    1.5             1.0
  D    1
    1    0.5             1.0
 
Hydrogen   1.0      0.0  1.428036   1.0957706
  S    3
    1   0.65341          0.817238
    2   2.89915          0.231208
    3  19.2406           0.032828
  S    1
    1   0.17758          1.0
  P    1
    1   1.0              1.0
 
 $END