%chk=000048838.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048838

0 1
 O  -0.3627000     -0.7574000     -0.1447000    
 O   0.7361000       1.905900     -0.2043000    
 N   -2.893900      2.1500001E-02  0.9160000    
 C   -1.077400      0.3681000     -0.6735000    
 C   -2.564000      0.1021000     -0.4870000    
 C  -0.6462000       1.636800      5.0500002E-02
 C   -2.992900      -1.172300      -1.203900    
 C   0.9777000     -0.5040000     -1.8300001E-02
 C    1.511200      0.7859000     -5.8100000E-02
 C   -4.320600     -0.2235000       1.116000    
 C    1.817600      -1.602500      0.1672000    
 C    2.889800      0.9752000      4.3200001E-02
 C    3.194700      -1.411200      0.2820000    
 C    3.730500     -0.1247000      0.2148000    
 H  -0.8421000      0.4439000      -1.744500    
 H   -3.105100      0.9450000     -0.9377000    
 H   -1.217100       2.500600     -0.3064000    
 H  -0.7737000       1.571900       1.138300    
 H   -2.596600      -1.187400      -2.226000    
 H   -2.628900      -2.075700     -0.7009000    
 H   -4.081400      -1.248300      -1.298400    
 H   -2.357400     -0.7175000       1.369400    
 H   -4.554900     -7.0100002E-02   2.174700    
 H   -4.608100      -1.251500      0.8756000    
 H   -4.940000      0.4774000      0.5465000    
 H    1.409300      -2.608400      0.2119000    
 H    3.314600       1.974400      6.0000003E-04
 H    3.851300      -2.265400      0.4199000    
 H    4.803500      2.0900000E-02  0.3005000    


%chk=000048838-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048838

0 1
O -0.365701 -0.777487 -0.149730
O 0.739982 1.923342 -0.257510
N -2.916188 -0.079191 0.902533
C -1.130435 0.368930 -0.722507
C -2.623549 0.027172 -0.545476
C -0.698704 1.658087 -0.012606
C -3.002650 -1.221380 -1.389969
C 1.017587 -0.526211 0.005350
C 1.556504 0.788863 -0.060630
C -4.337145 -0.157027 1.281425
C 1.869176 -1.627534 0.227039
C 2.947116 0.985567 0.066311
C 3.259483 -1.426054 0.367712
C 3.799555 -0.119640 0.276938
H -0.880119 0.437036 -1.801216
H -3.197656 0.896529 -0.930756
H -1.226556 2.534861 -0.420665
H -0.892364 1.574968 1.071203
H -2.845702 -1.035128 -2.469352
H -2.381735 -2.085641 -1.096228
H -4.065966 -1.483030 -1.245648
H -2.338806 -0.813008 1.333925
H -4.420317 -0.157975 2.382895
H -4.884454 -1.051157 0.899211
H -4.866872 0.740865 0.910965
H 1.428211 -2.628356 0.276497
H 3.335634 2.007149 0.007251
H 3.916768 -2.284686 0.539609
H 4.878204 0.039834 0.376830


