%chk=000159151.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159151

0 1
 O  -0.1907000      -3.568700      6.5800004E-02
 O    1.748400      -1.981400     -0.5172000    
 O    3.900200       1.528000     -0.2056000    
 O    2.837200      4.1700002E-02   1.126800    
 N   0.5293000      2.3300000E-02 -0.3755000    
 C  -0.7681000      0.5906000     -7.0600003E-02
 C    1.623500      0.9239000     -0.7684000    
 C   -1.026500      0.9584000       1.224600    
 C   -1.671300      0.7297000      -1.092600    
 C   0.6998000      -1.372100     -0.2856000    
 C    1.147400       2.368600     -0.7853000    
 C   -2.276300       1.503700       1.518600    
 C   -2.921000       1.275100     -0.7985000    
 C    2.829700      0.7752000      0.1439000    
 C  -3.3199999E-02  0.8008000       2.330100    
 C   -1.376900      0.3247000      -2.500800    
 C   -3.223500       1.662100      0.5071000    
 C  -0.5214000      -2.196200      7.9800002E-02
 C   -1.306700      -4.387400      0.4032000    
 H    1.941300      0.6072000      -1.769200    
 H    1.962700       3.019300      -1.126600    
 H   0.3244000       2.549900      -1.481100    
 H   0.8731000       2.744800      0.2050000    
 H   -2.528200       1.811900       2.529900    
 H   -3.671100       1.406000      -1.573900    
 H  -0.4996000      0.9614000       3.308900    
 H   0.3851000     -0.2095000       2.354400    
 H   0.7737000       1.532300       2.234500    
 H  -0.5382000      0.8968000      -2.908100    
 H   -1.146400     -0.7425000      -2.567000    
 H   -2.234400      0.5050000      -3.158900    
 H   -4.196400       2.087100      0.7359000    
 H  -0.8555000      -1.922600       1.085300    
 H   -1.321700      -2.022700     -0.6438000    
 H    4.651900       1.405800      0.4126000    
 H   -1.660300      -4.154600       1.412300    
 H  -0.9862000      -5.432200      0.3767000    
 H   -2.114800      -4.250100     -0.3218000    


%chk=000159151-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159151

0 1
O -0.862018 -2.703520 -0.489761
O 2.208301 -1.642726 -0.072259
O 4.056075 0.945614 -0.644079
O 2.934940 0.986151 1.389227
N 0.599351 0.019172 -0.153700
C -0.766094 0.491096 0.020783
C 1.652904 0.892975 -0.752822
C -1.183460 0.981270 1.292167
C -1.646594 0.466321 -1.100985
C 1.002879 -1.284115 0.118281
C 1.191579 2.352161 -0.954608
C -2.513112 1.460478 1.418340
C -2.963973 0.956011 -0.930646
C 2.904251 0.897871 0.142509
C -0.260478 0.976369 2.497047
C -1.198178 -0.094856 -2.436197
C -3.396659 1.451172 0.319358
C -0.041546 -2.266078 0.647706
C -1.864999 -3.689739 -0.083685
H 1.969230 0.455686 -1.717770
H 2.020091 2.927535 -1.402097
H 0.324928 2.407694 -1.633058
H 0.913010 2.821274 0.003925
H -2.847552 1.846243 2.388636
H -3.651827 0.944173 -1.784094
H -0.290756 -0.003488 3.015425
H 0.794225 1.149986 2.224683
H -0.572845 1.739218 3.231052
H -0.301092 0.419907 -2.828258
H -0.941513 -1.164227 -2.325727
H -1.997104 0.000541 -3.191102
H -4.418534 1.830122 0.434371
H 0.508612 -3.123672 1.083082
H -0.683516 -1.800643 1.425002
H 4.855394 0.969153 -0.052005
H -1.388021 -4.600113 0.336330
H -2.420402 -3.954520 -0.996792
H -2.566195 -3.267196 0.666625


