Date: Sun, 12 May 91 21:44:24 EDT

Warning: nonstandard floating-point arithmetic mode 
 was enabled in this program and was never cleared. 

 COORDINATES
     0.000000    0.000000    0.240356
     0.000000    1.432694   -0.961424
     0.000000   -1.432694   -0.961424

 NATOMS   =   3
 ICHARG =   0
 MULTIP =   1
 NAE    =   5
 NBE    =   5
 NE     =  10
 NBASIS =   7
 NSHELL =   4
 MAXTYP =   1

 IAN
   8  1  1

 CENTER TYPE SHELLA
       1      0      1
       1      1      4
       2      0      7
       3      0     10
                     0

             EXPON        EXPCOF(S)        EXPCOF(P)
   0.130709321E+03  0.425194328E+01  0.000000000E+00
   0.238088661E+02  0.411229442E+01  0.000000000E+00
   0.644360831E+01  0.128162255E+01  0.000000000E+00
   0.503315132E+01 -0.239413005E+00  0.167545020E+01

             EXPCOF(D)        EXPCOF(F)
   0.000000000E+00  0.000000000E+00
   0.000000000E+00  0.000000000E+00
   0.000000000E+00  0.000000000E+00
   0.000000000E+00  0.000000000E+00

               ATOM #     V.D.W. RADII (MULTIPLIED BY FACTOR)
                   1                     1.70
                   2                     1.45
                   3                     1.45
 Wavefunction is RHF.
 RMAX =     2.8000000000000 (ANGS), DELR =    0.30000000000000 (ANGS).
 THERE ARE   3 ATOMS TO CONSIDER.
 XMAX =   0. (AU), XMIN =   0. (AU).
 YMAX =     1.4326936135682 (AU), YMIN =    -1.4326936135682 (AU).
 ZMAX =    0.24035589486613 (AU), ZMIN =   -0.96142357946451 (AU).
 NUMBER OF X POINTS REQUIRED =   18
 NUMBER OF Y POINTS REQUIRED =   23
 NUMBER OF Z POINTS REQUIRED =   20
 TOTAL NUMBER OF POINTS CONSIDERED =   8280
 NUMBER OF POINTS SELECTED FOR FITTING :   3975

                 CHARGES FROM ELECTROSTATIC POTENTIAL GRID

                                    CHELPGrid

               Grid Modification - C. Breneman,  Yale Chem,                   1989

  Water, STO-3G   
  STO-3G G88/90 ChelpG TEST   

  CHECKPOINT FILE:  h2o.chk                                 

   0- 0- 0

                                      MOLECULAR GEOMETRY

                 ATOMIC NUMBER        X            Y            Z

                        8         0.0000000    0.0000000    0.2403559

                        1         0.0000000    1.4326936   -0.9614236

                        1         0.0000000   -1.4326936   -0.9614236

  THE TOTAL CHARGE IS CONSTRAINED TO:    0

                                    NET CHARGES

                            ATOMIC NUMBER     CHARGE

                                   8           -0.5637

                                   1            0.2818

                                   1            0.2818

  THE DIPOLE MOMENT OF THESE CHARGES IS:   1.72184

  FIT TO ELECTROSTATIC POTENTIAL AT   3975 POINTS

  ROOT MEAN SQUARE DEVIATION IS 0.0087 KCAL/MOLE
172.6u 0.9s 6:54 41% 0+1240k 8+1io 52pf+0w