%chk=000042498.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042498

0 1
 O  -0.9754000      -2.292700       1.096700    
 O   0.3204000      0.6513000       2.119600    
 O    5.671700      -1.102200      -1.390900    
 N   -1.599400     -0.6765000     -0.4740000    
 N   -5.116400      -2.848900      0.4302000    
 N    4.736900      0.2386000      0.3004000    
 N    6.981400      0.4096000     -0.2319000    
 C   -2.981800      -1.084300     -0.5028000    
 C   -3.633300     -0.9213000      0.8719000    
 C   -3.113400      -2.530300     -0.9836000    
 C   -5.064700      -1.454700      0.8715000    
 C   -4.563600      -3.005600     -0.9156000    
 C   -1.240800      0.4470000      -1.345100    
 C  -0.6913000      -1.349600      0.3592000    
 C   -1.974900       1.702800     -0.9735000    
 C   0.7181000     -0.9264000      0.3571000    
 C   -3.210300       1.986600      -1.555600    
 C   -1.421500       2.585900     -4.6399999E-02
 C    1.171400      5.7399999E-02   1.235900    
 C    1.604300      -1.522200     -0.5403000    
 C    2.511000      0.4455000       1.217300    
 C   -3.892400       3.153300      -1.210400    
 C   -2.103600       3.752600      0.2987000    
 C    2.943900      -1.133900     -0.5589000    
 C    3.397300     -0.1501000      0.3199000    
 C   -3.339100       4.036400     -0.2833000    
 C   0.8711000       1.646400       2.979600    
 C    5.776400     -0.2377000     -0.5241000    
 C    8.218000      0.1227000     -0.9217000    
 H   -3.544400     -0.4912000      -1.224300    
 H   -3.080400      -1.438400       1.662500    
 H   -3.643500      0.1379000       1.156800    
 H   -2.753400      -2.609700      -2.017200    
 H   -2.503300      -3.226400     -0.3994000    
 H   -5.701700     -0.8364000      0.2275000    
 H   -5.481600      -1.385700       1.882300    
 H   -4.616600      -4.062000      -1.201200    
 H   -5.179900      -2.455600      -1.637200    
 H   -4.573800      -3.420300       1.078300    
 H  -0.1653000      0.6419000      -1.346100    
 H   -1.483500      0.1532000      -2.374700    
 H   -3.644600       1.335500      -2.308800    
 H  -0.4489000       2.397500      0.3917000    
 H    1.260500      -2.289200      -1.229700    
 H    2.921100       1.204000       1.875900    
 H   -4.850200       3.378900      -1.670300    
 H   -1.669100       4.443800       1.015100    
 H    3.567600      -1.640600      -1.281600    
 H   -3.868500       4.946600     -1.7300000E-02
 H    4.996100      0.9608000      0.9679000    
 H    1.625800       1.225900       3.653000    
 H    1.246000       2.508000       2.416400    
 H   5.4099999E-02   2.013300       3.609800    
 H    7.001700       1.082400      0.5281000    
 H    8.020000     -0.1793000      -1.953200    
 H    8.840000       1.020600     -0.9064000    
 H    8.726300     -0.6875000     -0.3933000    


%chk=000042498-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042498

0 1
O -0.896047 -2.272595 1.168385
O 0.380320 0.725301 2.068711
O 5.827588 -0.987231 -1.528202
N -1.636962 -0.677159 -0.369707
N -5.306746 -2.910173 0.515535
N 4.911574 0.283002 0.246638
N 7.198414 0.404807 -0.243538
C -3.053533 -1.166590 -0.318291
C -3.680755 -1.039923 1.093131
C -3.194009 -2.608772 -0.871254
C -5.153047 -1.536469 1.059023
C -4.686137 -3.047257 -0.825480
C -1.352644 0.412769 -1.332405
C -0.652737 -1.291484 0.392729
C -2.097717 1.714017 -1.035517
C 0.773058 -0.786574 0.256243
C -2.809977 2.379309 -2.062732
C -2.059601 2.290033 0.260600
C 1.306320 0.162212 1.171101
C 1.661651 -1.379729 -0.666859
C 2.674895 0.503402 1.146992
C -3.468908 3.604954 -1.808012
C -2.719885 3.511040 0.517127
C 3.033474 -1.055779 -0.718684
C 3.546119 -0.106842 0.201395
C -3.426037 4.174227 -0.515434
C 0.894775 1.594244 3.128356
C 5.965176 -0.161424 -0.577327
C 8.412958 0.065612 -0.990804
H -3.618718 -0.488116 -0.990273
H -3.092810 -1.643581 1.806334
H -3.641515 0.016318 1.421735
H -2.816374 -2.653353 -1.912876
H -2.580058 -3.290853 -0.256418
H -5.760387 -0.857577 0.425296
H -5.588455 -1.508398 2.074660
H -4.785026 -4.097508 -1.155858
H -5.276440 -2.426078 -1.530648
H -4.921947 -3.607780 1.170038
H -0.263458 0.592950 -1.322610
H -1.614737 0.070274 -2.354545
H -2.849431 1.938685 -3.067372
H -1.508695 1.773473 1.055941
H 1.269485 -2.131108 -1.361881
H 3.075726 1.238930 1.853618
H -4.017057 4.108660 -2.612321
H -2.687133 3.948117 1.522103
H 3.703764 -1.523545 -1.440189
H -3.939355 5.121132 -0.313156
H 5.142137 0.966418 0.970617
H 1.643854 1.064772 3.747965
H 1.337310 2.521261 2.713086
H 0.018892 1.846597 3.744090
H 7.277198 1.053198 0.540304
H 8.125742 -0.656362 -1.771806
H 8.853532 0.956970 -1.475458
H 9.172876 -0.402725 -0.337596


