%chk=000135847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135847

0 1
 O   -2.593100      0.1384000       2.571700    
 O   -8.226600       1.385800      -1.192700    
 O   -7.406600      9.7099997E-02  -2.769400    
 N    1.765000     -0.6771000     -0.4475000    
 N    5.402100       1.388300     -0.1751000    
 N   -2.332900      -1.890100       1.476900    
 N   -7.343000      0.6060000      -1.624100    
 C   0.3403000      -2.515900      0.2528000    
 C    1.680100      -2.095200     -0.3464000    
 C   0.1218000      -1.951400       1.662000    
 C    2.998400      2.3200000E-02 -0.3551000    
 C    4.200100     -0.6567000     -0.5779000    
 C    2.999700       1.386400     -4.2300001E-02
 C   -1.222000      -2.364100       2.254900    
 C    5.395200      7.5199999E-02 -0.4762000    
 C    4.241800       2.038400      3.8300000E-02
 C    4.228300      -2.026200     -0.8939000    
 C    1.807100       2.094700      0.1861000    
 C    6.594800     -0.5961000     -0.6968000    
 C    4.249700       3.395600      0.3493000    
 C    5.441000      -2.673900      -1.109900    
 C    1.842400       3.451100      0.4955000    
 C    6.626500      -1.956900      -1.011000    
 C    3.066500       4.102500      0.5771000    
 C   -2.937000     -0.6583000       1.702600    
 C   -4.091800     -0.3257000      0.8290000    
 C   -5.060700      0.5331000       1.305000    
 C   -4.159200     -0.8871000     -0.4292000    
 C   -6.145900      0.8444000      0.4857000    
 C   -5.244300     -0.5756000      -1.248500    
 C   -6.237700      0.2901000     -0.7910000    
 H  -0.4668000      -2.177400     -0.4091000    
 H   0.2870000      -3.611300      0.2857000    
 H    1.668000      -2.553100      -1.342000    
 H    2.383100      -2.529800      0.3733000    
 H   0.9225000      -2.302700       2.323700    
 H   0.1783000     -0.8565000       1.643000    
 H   0.9197000     -0.1547000     -0.6365000    
 H   -1.298000      -3.455700       2.303200    
 H   -1.307300      -1.978100       3.276600    
 H    3.456300      -2.685800      -1.224700    
 H   0.8271000       1.629700      0.1472000    
 H   -2.707300      -2.531500      0.7864000    
 H    7.537300     -5.5700000E-02 -0.6275000    
 H    5.196300       3.928600      0.4194000    
 H    5.464200      -3.720900      -1.398500    
 H   0.9204000       3.995600      0.6748000    
 H    7.577800      -2.450100      -1.188100    
 H    3.105300       5.160700      0.8187000    
 H   -5.006600      0.9686000       2.298300    
 H   -3.390400      -1.536200     -0.8351000    
 H   -6.901700       1.521300      0.8759000    
 H   -5.279400      -1.019800      -2.240100    


%chk=000135847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135847

0 1
O -1.312313 0.014772 0.860733
O -7.335618 2.138161 -2.035059
O -8.073759 -0.022048 -2.050919
N 1.638302 -0.911317 -0.279096
N 5.162828 1.542901 0.033969
N -2.380315 -1.865172 1.753458
N -7.201984 0.884848 -1.758680
C 0.240420 -2.813274 0.500132
C 1.545187 -2.383729 -0.209493
C 0.141434 -2.307082 1.955806
C 2.788662 -0.129606 -0.246782
C 4.078879 -0.591069 -0.704974
C 2.697298 1.223229 0.270178
C -1.269981 -2.410181 2.578474
C 5.234021 0.282341 -0.496274
C 3.917914 2.010074 0.374079
C 4.301621 -1.827441 -1.411531
C 1.465407 1.818608 0.713672
C 6.540266 -0.177361 -0.895149
C 3.842016 3.353864 0.883742
C 5.575223 -2.223227 -1.816613
C 1.429773 3.125382 1.202777
C 6.714965 -1.400816 -1.532032
C 2.629092 3.905678 1.284684
C -2.347639 -0.718159 0.990234
C -3.636275 -0.355090 0.284061
C -3.824084 1.008049 -0.062413
C -4.624928 -1.309997 -0.075561
C -4.990848 1.425689 -0.727750
C -5.795691 -0.910427 -0.747871
C -5.964123 0.456470 -1.055322
H -0.615599 -2.435388 -0.090206
H 0.179935 -3.918681 0.466698
H 1.544965 -2.841113 -1.220350
H 2.425979 -2.779697 0.331502
H 0.821463 -2.894642 2.604201
H 0.478057 -1.259748 2.008027
H 0.755094 -0.431442 -0.079574
H -1.522942 -3.472024 2.761432
H -1.261358 -1.897804 3.561936
H 3.456240 -2.460884 -1.683216
H 0.522035 1.264739 0.689206
H -3.288530 -2.317259 1.875684
H 7.376861 0.498395 -0.692325
H 4.782516 3.910902 0.937539
H 5.704361 -3.161949 -2.366616
H 0.477397 3.554871 1.533188
H 7.714612 -1.728148 -1.839178
H 2.587284 4.931352 1.668403
H -3.035657 1.722178 0.193263
H -4.476002 -2.377212 0.124776
H -5.159945 2.471254 -0.997294
H -6.566718 -1.626566 -1.043076


