  Expected Value     Calculated Value    Difference        File

  Testing Hamiltonians -  Value is Heat of Formation (kcal/mol) 

      53.51300          53.51314          -0.00014         1amrbd1.out    
      18.13500          18.13467           0.00033         1amrdd1.out    
     107.13700         107.13739          -0.00039         1amred1.out    
     -31.48900         -31.48946           0.00046         1amrsd1.out    
      53.25500          53.25528          -0.00028         1amrtd1.out    
      15.48700          15.48705          -0.00005         1amudd1.out    
      46.97500          46.97504          -0.00004         1amusd1.out    
      49.26000          49.26046          -0.00046         1amutd1.out    
      64.48700          64.48692           0.00008         1m3rbd1.out    
      21.79800          21.79862          -0.00062         1m3rdd1.out    
     100.33100         100.33107          -0.00007         1m3red1.out    
     -25.43500         -25.43532           0.00032         1m3rsd1.out    
      64.48500          64.48560          -0.00060         1m3rtd1.out    
      18.38100          18.38089           0.00011         1m3udd1.out    
      55.95300          55.95259           0.00041         1m3usd1.out    
      59.53400          59.53372           0.00028         1m3utd1.out    
      45.15100          45.15131          -0.00031         1mnrbd1.out    
      12.82400          12.82718          -0.00318         1mnrdd1.out    
     106.64000         106.64017          -0.00018         1mnred1.out    
     -32.88200         -32.88190          -0.00010         1mnrsd1.out    
      45.14000          45.13994           0.00006         1mnrtd1.out    
      10.54600          10.54597           0.00003         1mnudd1.out    
      39.72400          39.72447          -0.00047         1mnusd1.out    
      41.66800          41.66821          -0.00021         1mnutd1.out    

  Testing Keywords  -  Value is Heat of Formation (kcal/mol) 

     -31.24700         -31.24677          -0.00023         2keys1.out     
     221.19400         221.19441          -0.00041         2keys2.out     
     -32.88200         -32.88189          -0.00011         2keys3.out     
      26.56500          26.56550          -0.00050         2keys4.out     

  Testing Geometry optimization -  Value is Heat of Formation (kcal/mol) 

      15.40500          15.40470           0.00030         3mnrsd.out     
      15.40500          15.40478           0.00022         3mnrsn.out     
      15.40500          15.40519          -0.00019         3mnrss.out     

  Testing Configuration interaction -  Value is Heat of Formation (kcal/mol) 

      68.34800          68.34815          -0.00015         4meci1.out     
      23.59400          23.59416          -0.00016         4meci2.out     
      45.24300          45.24353          -0.00053         4meci3.out     
      45.24300          45.24335          -0.00035         4meci4.out     
     101.39700         101.39733          -0.00033         4meci5.out     

  Testing MNDO Parameter Set -  Value is Heat of Formation (kcal/mol) 

      31.29906          31.29905           0.00000         6ali.out       
     -23.36880         -23.36880           0.00000         6bei2.out      
      11.72423          11.72423           0.00000         6bh3.out       
      40.28400          40.28399           0.00000         6brcn.out      
     -32.88183         -32.88184           0.00002         6ch2o.out      
       7.08063           7.08062           0.00001         6clsih.out     
     -52.09889         -52.09892           0.00003         6gecl2.out     
     -59.73416         -59.73416           0.00000         6hf.out        
     -36.93177         -36.93177           0.00000         6hgcl2.out     
      46.98100          46.98173          -0.00073         6io.out        
      31.56419          31.56419           0.00000         6n2o.out       
     -22.88904         -22.88904           0.00000         6ocs.out       
     -76.99232         -76.99234           0.00002         6pbcl2.out     
      34.22080          34.22080           0.00000         6pn.out        
     -22.62563         -22.62563           0.00000         6sio.out       
     -38.18556         -38.18556           0.00000         6snbr2.out     
      42.74459          42.74457           0.00002         6znbr2.out     

  Testing AM1  Parameter Set -  Value is Heat of Formation (kcal/mol) 

      28.97173          28.97173           0.00000         7ali.out       
      26.26219          26.26219           0.00000         7bh3.out       
      32.47819          32.47818           0.00000         7brcn.out      
     -31.48938         -31.48939           0.00001         7ch2o.out      
      10.77931          10.77932          -0.00001         7clsih.out     
     -42.94884         -42.94884           0.00000         7gecl2.out     
     -74.27618         -74.27618           0.00001         7hf.out        
     -44.83338         -44.83338           0.00000         7hgcl2.out     
      36.97300          36.97304          -0.00004         7io.out        
      28.45741          28.45740           0.00000         7n2o.out       
     -28.96102         -28.96102           0.00000         7ocs.out       
      32.51095          32.51094           0.00001         7pn.out        
      -2.06905          -2.06906           0.00000         7sio.out       
     -49.57139         -49.57141           0.00002         7snbr2.out     
       4.67181           4.67181           0.00000         7zni2.out      

  Testing Force option -  Value is Vibrational Frequency (cm-1) 

    1209.00000        1209.53223          -0.53223         8force1.out    
    1214.00000        1214.43384          -0.43384         8force1.out    
    1490.00000        1490.50781          -0.50781         8force1.out    
    2114.00000        2114.25195          -0.25195         8force1.out    
    3256.00000        3256.60083          -0.60083         8force1.out    
    3303.00000        3303.01660          -0.01660         8force1.out    
      28.00000          28.46890          -0.46890         8force2.out    
     778.00000         778.14050          -0.14050         8force2.out    
     871.00000         871.19897          -0.19897         8force2.out    
    1032.00000        1032.67786          -0.67786         8force2.out    
    1161.00000        1161.39758          -0.39758         8force2.out    
    1275.00000        1275.25610          -0.25610         8force2.out    
     499.00000         499.90820          -0.90820         8force3.out    
     748.00000         748.09961          -0.09961         8force3.out    
     748.00000         748.18152          -0.18152         8force3.out    
     972.00000         972.07599          -0.07599         8force3.out    
     972.00000         972.16272          -0.16272         8force3.out    
    1312.00000        1312.66333          -0.66333         8force3.out    
