%chk=000101903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101903

0 1
 O    1.665800      0.5216000      -2.548700    
 O   -3.060900      -1.251800      -2.073400    
 O    7.854600     -0.7770000      0.2677000    
 O    7.001000     -0.3171000       2.237300    
 N   0.6626000     -8.8799998E-02 -0.5465000    
 N   -1.567200     -0.9312000     -0.3282000    
 N   -3.090300       3.536200      0.3108000    
 N    6.879200     -0.4785000      0.9987000    
 N   -3.083000       5.857000      0.9305000    
 N   -4.916700       4.917800     -4.4700000E-02
 C  -0.7192000      5.2200001E-02 -0.9880000    
 C   -1.234300       1.488800     -0.7870000    
 C   -1.254200       1.955500      0.6769000    
 C   -1.722800       3.401400      0.8160000    
 C    1.744000      0.1618000      -1.377300    
 C   -2.674100      -1.502000     -0.9351000    
 C    3.083100     -5.2000000E-03 -0.7574000    
 C   -3.434700      -2.470400     -0.1061000    
 C    4.182100     -0.3361000      -1.550100    
 C    3.242000      0.1692000      0.6174000    
 C   -4.166700      -3.488300     -0.7179000    
 C   -3.417200      -2.363000       1.284600    
 C    5.440000     -0.4926000     -0.9683000    
 C    4.500000      1.2700000E-02   1.199400    
 C   -3.634900       4.709000      0.4070000    
 C    5.598900     -0.3183000      0.4065000    
 C   -4.881300      -4.398400      6.1000001E-02
 C   -4.131800      -3.273400       2.063300    
 C   -4.863800      -4.291100       1.451500    
 H  -0.7450000     -0.1612000      -2.063700    
 H   -2.246600       1.557200      -1.204300    
 H  -0.6057000       2.176600      -1.367100    
 H  -0.2510000       1.870800       1.109900    
 H   -1.915600       1.303900       1.260600    
 H   0.7992000     -0.4240000      0.4003000    
 H   -1.279700      -1.216000      0.6013000    
 H   -1.042000       4.057000      0.2596000    
 H   -1.680000       3.675300       1.877200    
 H    4.076600     -0.4803000      -2.622200    
 H    2.420400      0.4589000       1.265700    
 H   -4.188900      -3.591000      -1.799600    
 H   -2.888100      -1.567300       1.800500    
 H    6.273100     -0.7517000      -1.616700    
 H    4.588300      0.1630000       2.272400    
 H   -5.450800      -5.191300     -0.4151000    
 H   -4.124800      -3.185900       3.145900    
 H   -5.421400      -4.998900       2.057900    
 H   -3.607300       6.725000      0.9540000    
 H   -2.142100       5.882200       1.306800    
 H   -5.361100       5.826900      2.2200000E-02
 H   -5.455500       4.164500     -0.4577000    


%chk=000101903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101903

0 1
O 2.106613 1.143007 -2.451173
O -1.313152 -1.697428 -1.608720
O 7.757262 -2.121698 0.120556
O 6.800050 -2.145249 2.190707
N 0.821414 0.442070 -0.646595
N -1.567634 0.337152 -0.492862
N -2.946058 2.447808 0.643655
N 6.777034 -1.882142 0.925915
N -4.763725 3.987434 1.023619
N -5.188181 1.722486 0.592517
C -0.459113 0.937938 -1.235879
C -0.528449 2.482907 -1.205487
C -0.573122 3.109769 0.215182
C -1.980755 3.572349 0.655225
C 2.012425 0.538348 -1.332656
C -1.921508 -0.977833 -0.747696
C 3.222100 -0.105606 -0.691706
C -3.063388 -1.543109 0.064307
C 4.331848 -0.377743 -1.532887
C 3.304617 -0.410040 0.693113
C -3.726702 -2.688873 -0.446098
C -3.444821 -1.024343 1.330337
C 5.500008 -0.964188 -1.014664
C 4.467708 -0.992855 1.230834
C -4.235631 2.722045 0.757586
C 5.548293 -1.266582 0.364583
C -4.770527 -3.294660 0.283094
C -4.483432 -1.642086 2.066438
C -5.152242 -2.773269 1.543401
H -0.472548 0.593427 -2.288613
H -1.420586 2.790452 -1.785054
H 0.354949 2.839869 -1.761776
H 0.091436 3.993844 0.252797
H -0.173227 2.391085 0.956677
H 0.727775 -0.202317 0.140715
H -2.191271 1.022849 0.041810
H -2.307849 4.390872 -0.029761
H -1.897524 4.014006 1.675129
H 4.250449 -0.109794 -2.590640
H 2.477491 -0.167328 1.369169
H -3.390578 -3.091256 -1.407425
H -2.917461 -0.161455 1.752653
H 6.363575 -1.188887 -1.645719
H 4.557096 -1.232215 2.293443
H -5.279724 -4.176229 -0.121719
H -4.758374 -1.248777 3.051763
H -5.953534 -3.252314 2.117323
H -5.738260 4.200958 0.826271
H -4.139836 4.759338 1.238319
H -6.106001 1.810667 1.023148
H -4.854734 0.781294 0.384645


