%chk=000050781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050781

0 1
 O  -0.1309000       1.032200      6.7900002E-02
 O   -1.478600       2.554800      -1.011200    
 N    2.548100      2.2100000E-02 -0.1866000    
 N   -5.452300      -2.255500      0.4441000    
 C    2.271000       1.283300      0.5133000    
 C    3.747800     -0.6014000      0.3437000    
 C    4.076500      -1.932000     -0.3551000    
 C   0.9926000       1.890100     -9.2900001E-02
 C    3.476200       2.213200      0.3176000    
 C    2.083000      0.9965000       2.010300    
 C    4.242400      -1.698300      -1.859100    
 C    5.338200      -2.593600      0.2050000    
 C   -1.308400       1.489200     -0.4396000    
 C   -2.397300      0.5068000     -0.2069000    
 C   -3.438900      0.4396000      -1.109300    
 C   -2.333200     -0.3094000      0.9039000    
 C   -4.461300     -0.4841000     -0.8913000    
 C   -3.355400      -1.233100       1.121900    
 C   -4.419500      -1.320400      0.2243000    
 H    1.756400     -0.6127000     -8.5800000E-02
 H    3.650400     -0.8410000       1.407200    
 H    4.632400      3.1099999E-02  0.2216000    
 H    3.239800      -2.627200     -0.2062000    
 H    1.143600       2.083400      -1.163500    
 H   0.7757000       2.849700      0.3942000    
 H    3.209400       3.235400      0.6144000    
 H    3.784900       2.262600     -0.7335000    
 H    4.346200       1.946500      0.9267000    
 H    3.019500      0.7872000       2.538000    
 H    1.650100       1.873500       2.507700    
 H    1.393900      0.1617000       2.185600    
 H    5.030000     -0.9651000      -2.064800    
 H    4.513900      -2.631200      -2.365700    
 H    3.315300      -1.342500      -2.319700    
 H    6.216900      -1.954700      6.5700002E-02
 H    5.530800      -3.550400     -0.2917000    
 H    5.227800      -2.788400       1.276800    
 H   -3.480600       1.082700      -1.983400    
 H   -1.522700     -0.2523000       1.624400    
 H   -5.284600     -0.5434000      -1.598700    
 H   -3.312900      -1.877600       1.996300    
 H   -5.423500      -2.860300       1.254100    
 H   -6.225300      -2.317700     -0.2050000    


%chk=000050781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050781

0 1
O -0.033740 1.043286 0.040418
O -1.406424 2.415582 -1.253554
N 2.611027 0.104243 -0.060233
N -5.448562 -2.383903 0.494105
C 2.330398 1.447677 0.526053
C 3.732009 -0.691795 0.479260
C 3.981269 -1.956461 -0.383672
C 1.088366 1.989342 -0.210968
C 3.500060 2.414048 0.209499
C 2.066898 1.414208 2.062235
C 4.448319 -1.582346 -1.808121
C 4.994261 -2.892088 0.315809
C -1.263748 1.377018 -0.556440
C -2.318037 0.382549 -0.260842
C -3.608385 0.573801 -0.826948
C -2.097035 -0.753015 0.565670
C -4.646198 -0.335545 -0.582347
C -3.128559 -1.669285 0.818892
C -4.423747 -1.477410 0.247268
H 1.742239 -0.448740 -0.096374
H 3.576560 -1.014111 1.539502
H 4.650705 -0.072751 0.465468
H 3.013245 -2.498524 -0.468530
H 1.268922 2.038613 -1.299326
H 0.798327 2.989592 0.158054
H 3.243463 3.449495 0.499886
H 3.733397 2.390396 -0.869486
H 4.410748 2.130733 0.766196
H 2.941778 1.002542 2.597228
H 1.878859 2.430512 2.456740
H 1.187286 0.787373 2.292355
H 5.457872 -1.127037 -1.776798
H 4.499186 -2.473541 -2.461270
H 3.755362 -0.849268 -2.256080
H 5.968518 -2.382364 0.448676
H 5.172697 -3.802999 -0.284850
H 4.636475 -3.205926 1.314942
H -3.771510 1.451822 -1.461012
H -1.108245 -0.904100 1.008168
H -5.635239 -0.173992 -1.027803
H -2.944407 -2.540115 1.459842
H -5.295466 -3.198163 1.082325
H -6.371546 -2.250053 0.090764


