Formamide : Data

Multipoles : ISA L4/L4 aQZset2

formamide_aQZ_B+DF_z0.1_aQZset2_L4.mom

! Multipole moments for formamide
! Based on DF-type : ISA
 
   C     0.73690219    -0.29016270     0.00000000     Type    C      Rank   4
       0.643558
       0.000000      -0.093062       0.038727
      -0.067960       0.000000       0.000000      -0.137494      -0.106254
       0.000000      -0.017016      -0.484918       0.000000      -0.000001
                      1.387651      -0.272810
      -0.075305       0.000000       0.000002       0.131492       0.080812
                      0.000000       0.000000       0.081890      -1.175362
 
   O    -0.41965533    -2.26421099     0.00000000     Type    O      Rank   4
      -0.565593
       0.000000      -0.035721      -0.020417
       0.078619       0.000000       0.000000      -0.121810      -0.031359
       0.000000      -0.161251      -0.129524       0.000000       0.000000
                      0.639035      -0.240432
       0.013317       0.000000       0.000000       0.044043      -0.078437
                      0.000000       0.000000       0.251191       0.201007
 
   N    -0.33761508     2.03824113     0.00000000     Type    N      Rank   4
      -0.824931
       0.000000      -0.013814      -0.062137
      -0.264854       0.000000       0.000000      -0.005416       0.097960
      -0.000001       0.109101      -1.056705       0.000000       0.000000
                      1.349783      -0.459433
      -0.483980       0.000000       0.000000      -0.531023      -0.527108
                      0.000001       0.000000       0.299321       0.140845
 
  H1     2.82092994    -0.20596490     0.00000000     Type   H1      Rank   4
      -0.001641
       0.000000       0.077541      -0.007031
      -0.001861       0.000000       0.000000      -0.098989      -0.046376
       0.000000      -0.209632      -0.012407       0.000000       0.000000
                      0.150328       0.034063
      -0.170607       0.000000       0.000000       0.150705      -0.025453
                      0.000000       0.000000      -0.075252       0.014589
 
  H2    -2.23332780     2.19617606     0.00000000     Type   H2      Rank   4
       0.382741
       0.000000      -0.028215      -0.006547
       0.015378       0.000000       0.000000      -0.024566      -0.007460
       0.000000       0.165599      -0.086495       0.000000       0.000000
                     -0.116501       0.028620
      -0.161643       0.000000       0.000000       0.061183      -0.093391
                      0.000000       0.000000       0.002485      -0.005154
 
  H3     0.72278745     3.61139057     0.00000000     Type   H3      Rank   4
       0.365865
       0.000000       0.027500       0.013469
       0.018155       0.000000       0.000000       0.014052       0.006261
       0.000000      -0.067393      -0.158104       0.000000       0.000000
                     -0.098466       0.029778
      -0.143143       0.000000       0.000000      -0.075905       0.104982
                      0.000000       0.000000       0.016422      -0.002377