%chk=000149167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149167

0 1
 O   -3.771800     -0.6749000      0.4104000    
 O   -2.086100      0.8914000      5.3500000E-02
 O   -6.229800       1.120300      -2.354300    
 O   -7.342800     -0.7276000     -0.4506000    
 O   -4.545000      -2.669400       2.127300    
 O   0.2803000      -1.495100      9.8499998E-02
 O    2.619200      -2.240700     -0.6619000    
 O    4.755800       2.433300      0.8041000    
 N   -3.971400       2.629600      -1.263100    
 C   -5.682700      0.8873000      -1.055200    
 C   -4.180300       1.189100      -1.088900    
 C   -5.942500     -0.5705000     -0.6643000    
 C   -5.163600     -0.9368000      0.6028000    
 C   -3.494100      0.7094000      0.1956000    
 C   -5.299800      -2.414500      0.9566000    
 C   -1.385300      0.4648000       1.214300    
 C   7.9800002E-02  0.6769000       1.012200    
 C   0.8791000     -0.3210000      0.4538000    
 C    2.249900     -0.1007000      0.2741000    
 C    2.815200       1.118200      0.6547000    
 C   0.6438000       1.893400       1.391600    
 C    2.009500       2.117000       1.214600    
 C    3.088200      -1.162900     -0.3183000    
 C    4.533300     -0.9175000     -0.5015000    
 C    4.260300       1.363600      0.4717000    
 C    5.098700      0.3012000     -0.1205000    
 C    5.339000      -1.916100      -1.061700    
 C    6.469600      0.5212000     -0.2996000    
 C    6.704800      -1.692700      -1.238200    
 C    7.269000     -0.4766000     -0.8578000    
 H   -6.201100       1.561200     -0.3603000    
 H   -3.727700      0.6884000      -1.954500    
 H   -5.660500      -1.227200      -1.496200    
 H   -5.513100     -0.3490000       1.462600    
 H   -3.840800       1.287400       1.063600    
 H   -4.908100      -3.055200      0.1597000    
 H   -6.341100      -2.688100       1.149600    
 H   -4.370800       3.134600     -0.4727000    
 H   -4.479300       2.949500      -2.087100    
 H   -7.176200      0.8999000      -2.314300    
 H   -7.594700     -0.1759000      0.3097000    
 H   -1.589000     -0.5890000       1.437700    
 H   -1.729200       1.041100       2.083000    
 H   -3.623700      -2.417500       1.944000    
 H   3.0700000E-02   2.679200       1.825200    
 H    2.425100       3.074100       1.518100    
 H    4.925100      -2.873400      -1.367000    
 H    6.933600       1.460700     -1.1400000E-02
 H   0.9240000      -2.115900     -0.2731000    
 H    7.329300      -2.468000      -1.672700    
 H    8.332600     -0.3052000     -0.9963000    


%chk=000149167-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149167

0 1
O -4.068828 -1.086767 -0.326444
O -2.578434 -0.356409 -2.004716
O -6.016323 2.642603 -0.459337
O -6.518773 0.870362 1.809700
O -4.508328 -3.058916 1.681444
O 0.838800 -2.602451 -0.880494
O 3.197017 -2.698404 0.010973
O 3.473041 2.820307 0.188692
N -3.484604 2.345379 -1.778981
C -5.061987 1.615901 -0.035706
C -4.253537 1.195952 -1.272780
C -5.791083 0.417817 0.603550
C -4.808430 -0.734921 0.910527
C -3.295320 0.069331 -0.843764
C -5.494816 -2.031151 1.352285
C -1.424056 -1.226210 -1.731148
C -0.201099 -0.467949 -1.240018
C 0.931622 -1.231964 -0.824017
C 2.125212 -0.583494 -0.366161
C 2.176747 0.847231 -0.329190
C -0.118461 0.937826 -1.192501
C 1.056563 1.592231 -0.741647
C 3.265106 -1.400738 0.054075
C 4.495049 -0.724970 0.528530
C 3.406233 1.550047 0.145474
C 4.564597 0.700171 0.573098
C 5.607006 -1.500953 0.940361
C 5.749304 1.325808 1.029989
C 6.781147 -0.867526 1.393694
C 6.852223 0.548295 1.438484
H -4.356802 2.045089 0.717396
H -4.960058 0.758653 -2.015162
H -6.592629 0.068407 -0.070271
H -4.078460 -0.415854 1.692952
H -2.608438 0.419869 -0.038087
H -6.179024 -2.368916 0.545388
H -6.077799 -1.861231 2.271118
H -4.043946 3.206829 -1.772333
H -3.079642 2.159013 -2.702756
H -6.659365 2.777222 0.285463
H -5.859572 1.100296 2.516519
H -1.206794 -1.719791 -2.694258
H -1.700825 -2.021662 -1.013953
H -3.929551 -3.175675 0.883973
H -0.987004 1.530937 -1.500428
H 1.113554 2.684009 -0.705039
H 5.524902 -2.591154 0.895378
H 5.777944 2.419733 1.054501
H 1.747912 -2.980391 -0.539806
H 7.639439 -1.468542 1.711723
H 7.765968 1.038118 1.791208


