%chk=000048217.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048217

0 1
 O    5.694100      0.8115000     -0.1690000    
 O  -0.3889000       1.637700       2.440600    
 N    2.983400     -5.0700001E-02 -0.2726000    
 C  -0.8273000      0.1083000      0.5338000    
 C   0.5877000      0.4524000     -7.3200002E-02
 C    1.734600     -0.4775000      0.3550000    
 C   -1.189100      -1.344000      0.1204000    
 C   -1.947300       1.060200      1.7000001E-02
 C  -0.7487000      0.3045000       2.085300    
 C    3.341500       1.310200      0.1504000    
 C    4.074100     -0.9815000      4.9800001E-02
 C    4.653200       1.728600     -0.5079000    
 C    5.369000     -0.5090000     -0.6051000    
 C   -1.320400      -1.612300      -1.211900    
 C   -3.214900      0.8471000      0.4699000    
 C   -1.354000      -2.266100       1.113800    
 C   -1.586700       2.044400     -0.8540000    
 C   -1.645100      -2.916900      -1.583400    
 C   -4.217700       1.699400      7.4000000E-03
 C   -1.678700      -3.570800      0.7421000    
 C   -2.589500       2.896700      -1.316300    
 C   -1.824200      -3.896100     -0.6066000    
 C   -3.905000       2.724100     -0.8855000    
 H   0.8099000       1.481800      0.2165000    
 H   0.5543000      0.4314000      -1.171300    
 H    1.842300     -0.4899000       1.445000    
 H    1.511500      -1.501500      3.5999998E-02
 H  -1.2600000E-02 -0.3554000       2.556400    
 H   -1.704400      0.1040000       2.582000    
 H    3.444300       1.360800       1.242100    
 H    2.612300       2.058900     -0.1661000    
 H    3.837800      -1.987100     -0.3164000    
 H    4.215900      -1.039500       1.136900    
 H    4.558800       1.787800      -1.599200    
 H    4.953000       2.718000     -0.1475000    
 H    6.194500      -1.167400     -0.3161000    
 H    5.298600     -0.5262000      -1.699500    
 H   -1.188100     -0.8642000      -1.985700    
 H   -3.479900      5.2000001E-02   1.157600    
 H   -1.257200      -2.071900       2.173100    
 H  -0.5894000       2.233100      -1.225100    
 H   0.5717000       1.726600       2.322200    
 H   -1.759300      -3.170300      -2.633300    
 H   -5.242400       1.564000      0.3412000    
 H   -1.819100      -4.334000       1.502100    
 H   -2.347200       3.695200      -2.011700    
 H   -2.077400      -4.911900     -0.8958000    
 H   -4.685800       3.387500      -1.245800    


%chk=000048217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048217

0 1
O 5.848010 0.511721 -0.451731
O -0.506416 1.719741 2.588089
N 2.996442 -0.000228 -0.141860
C -0.843717 0.197581 0.594506
C 0.564338 0.612788 0.050343
C 1.733429 -0.231925 0.599675
C -1.124043 -1.273694 0.186903
C -1.966918 1.100858 0.016581
C -0.858722 0.365011 2.154099
C 3.568260 1.353810 0.077433
C 4.013733 -1.038808 0.171442
C 4.840924 1.536932 -0.767096
C 5.272166 -0.824083 -0.683860
C -1.264277 -1.576355 -1.195550
C -3.320454 0.723040 0.230495
C -1.237718 -2.342629 1.112564
C -1.719231 2.307287 -0.682502
C -1.493768 -2.894220 -1.639034
C -4.386883 1.522891 -0.227153
C -1.475753 -3.667391 0.672400
C -2.785567 3.112232 -1.148560
C -1.599292 -3.951801 -0.704074
C -4.124112 2.727426 -0.921364
H 0.731262 1.682866 0.276760
H 0.575653 0.517837 -1.050602
H 1.876311 -0.040556 1.698441
H 1.479607 -1.302882 0.494064
H -0.181300 -0.372360 2.629818
H -1.879435 0.210406 2.539696
H 3.818449 1.516730 1.158511
H 2.830680 2.120119 -0.222802
H 3.585065 -2.034987 -0.048126
H 4.303143 -1.017670 1.253318
H 4.577834 1.483972 -1.845812
H 5.325301 2.503416 -0.550116
H 6.065948 -1.539571 -0.412796
H 5.014629 -0.938806 -1.758899
H -1.211520 -0.762928 -1.928818
H -3.540696 -0.218214 0.749224
H -1.151356 -2.163492 2.189035
H -0.694744 2.640182 -0.872466
H 0.467252 1.854652 2.466958
H -1.597379 -3.096882 -2.711068
H -5.420724 1.206368 -0.047606
H -1.564063 -4.474180 1.409161
H -2.566803 4.042555 -1.685422
H -1.781598 -4.977129 -1.044704
H -4.949747 3.352374 -1.279896


