%chk=000041240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041240

0 1
 O   0.8740000      -3.041600     -0.9098000    
 N   -2.842300     -0.4826000     -0.2322000    
 N   0.8606000     -0.7186000     -0.7039000    
 C   -1.443900     -0.6083000      0.1576000    
 C   -3.061400      0.7595000     -0.9759000    
 C   -3.712400     -0.5287000      0.9448000    
 C  -0.5508000     -0.6215000      -1.074300    
 C    1.533100      0.4932000     -0.3197000    
 C    2.877800     -0.7425000       1.457700    
 C    3.590600      -1.795300      0.6223000    
 C    2.541700      0.4985000      0.6704000    
 C    2.998300      -1.984600     -0.7633000    
 C    1.480900      -1.976100     -0.7716000    
 C   -2.689300       1.964000     -0.1158000    
 C   -4.518100      0.8341000      -1.422200    
 C   -3.372300      0.6124000       1.899300    
 C   -3.564000      -1.881800       1.633200    
 C    1.163200       1.716900     -0.9067000    
 C    3.189600       1.701700      0.9983000    
 C    1.812800       2.905000     -0.5665000    
 C    2.831700       2.896100      0.3782000    
 H   -1.275400      -1.578500      0.6404000    
 H   -1.052000      0.1230000      0.8642000    
 H   -2.495900      0.7720000      -1.910500    
 H   -4.770900     -0.4777000      0.6708000    
 H  -0.6760000      0.2068000      -1.763500    
 H  -0.8105000      -1.504700      -1.674500    
 H    3.501000     -0.4959000       2.326500    
 H    1.949800      -1.152000       1.878600    
 H    4.649000      -1.527500      0.5125000    
 H    3.567800      -2.746400       1.168300    
 H    3.343000      -2.938500      -1.180400    
 H    3.362200      -1.212900      -1.452900    
 H   -2.382900       2.727300     -0.8531000    
 H   -3.524900       2.491900      0.3482000    
 H   -1.789500       1.931000      0.4972000    
 H   -4.846100     -0.1014000      -1.889800    
 H   -4.626900       1.621000      -2.178900    
 H   -5.216400       1.091800     -0.6195000    
 H   -3.688700      0.2678000       2.899100    
 H   -2.333400      0.8656000       2.103800    
 H   -4.028600       1.477800       1.798000    
 H   -3.627500      -2.708400      0.9164000    
 H   -4.380400      -2.023200       2.352100    
 H   -2.633800      -1.979100       2.202800    
 H   0.4091000       1.796700      -1.681500    
 H    3.968100       1.717800       1.757400    
 H    1.527300       3.835800      -1.048100    
 H    3.337900       3.819600      0.6426000    


%chk=000041240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041240

0 1
O 0.430629 -2.765136 0.213396
N -2.769387 0.075648 0.106866
N 0.922651 -0.623024 -0.562083
C -1.339707 -0.068802 0.408310
C -3.236562 1.448145 -0.215348
C -3.705906 -0.895165 0.732371
C -0.522961 -0.426458 -0.866556
C 1.859579 0.456825 -0.757236
C 2.724212 0.092704 1.616779
C 3.286354 -1.354304 1.512233
C 2.755299 0.832602 0.290726
C 2.789493 -2.077917 0.227570
C 1.298088 -1.865494 -0.024922
C -3.660958 2.295546 1.021339
C -4.354206 1.445148 -1.286096
C -3.655387 -0.945001 2.289834
C -3.491063 -2.313928 0.146742
C 1.873803 1.159731 -1.988791
C 3.657395 1.898031 0.057562
C 2.772776 2.227127 -2.194426
C 3.672977 2.598506 -1.169508
H -1.182630 -0.884110 1.135994
H -0.916891 0.857212 0.859523
H -2.358839 1.953163 -0.669758
H -4.723907 -0.565858 0.446532
H -0.625918 0.375777 -1.615863
H -0.926729 -1.363249 -1.283968
H 3.289194 0.656058 2.381091
H 1.674384 0.031631 1.967591
H 4.392736 -1.333599 1.495754
H 2.980602 -1.925974 2.408334
H 2.950745 -3.164537 0.318923
H 3.367885 -1.712522 -0.641142
H -3.855782 3.344579 0.728003
H -4.586018 1.895756 1.476207
H -2.867551 2.295187 1.791535
H -4.031154 0.874952 -2.174622
H -4.597927 2.479281 -1.593387
H -5.285338 0.986952 -0.903446
H -4.457736 -1.601821 2.675821
H -2.693984 -1.358937 2.647182
H -3.786270 0.057497 2.732216
H -3.643589 -2.303827 -0.947035
H -4.199092 -3.035190 0.596905
H -2.464980 -2.676439 0.345847
H 1.197051 0.852281 -2.793428
H 4.346374 2.189486 0.859619
H 2.777828 2.756476 -3.153561
H 4.375616 3.424487 -1.323529


