%chk=000033429.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033429

0 1
 N  -0.8931000     -0.2330000      0.7188000    
 N    1.441200      0.3204000      0.6655000    
 N   -1.623000      -2.217200     -0.2956000    
 N    2.939200      -1.135700     -0.3998000    
 N   0.6644000      -1.703900     -0.3623000    
 C  -0.4279000       3.026300      0.8664000    
 C   -1.695800       2.843500      2.6400000E-02
 C  -0.1226000       1.820100       1.761700    
 C   -1.975300       4.079100     -0.8301000    
 C   0.1609000      0.5508000      0.9982000    
 C   -3.253700       3.919500      -1.637400    
 C  -0.5658000      -1.342500      3.7000000E-02
 C    1.617400     -0.8249000     -1.2800000E-02
 C   -2.982900      -1.960600      6.1999999E-02
 C    4.053600     -0.2927000     -9.8700002E-02
 C   -3.883300      -3.110000     -0.3788000    
 C    5.336700     -0.8595000     -0.6972000    
 C   -5.338600      -2.906100      1.9200001E-02
 C    6.548500      2.6200000E-02 -0.4427000    
 H  -0.5396000       3.912800       1.502600    
 H   0.4248000       3.214400      0.2020000    
 H   -1.593700       1.977700     -0.6370000    
 H   -2.549100       2.650100      0.6877000    
 H   0.7464000       2.053300       2.389300    
 H  -0.9609000       1.645800       2.447400    
 H   -2.064900       4.964100     -0.1894000    
 H   -1.136400       4.256300      -1.513100    
 H   -3.186700       3.060300      -2.312400    
 H   -3.434000       4.813600      -2.242400    
 H   -4.117100       3.774100     -0.9804000    
 H   -3.069200      -1.837200       1.148500    
 H   -3.327100      -1.030700     -0.4068000    
 H    3.885200      0.7125000     -0.5043000    
 H    4.172200     -0.1977000      0.9874000    
 H   -1.374200      -3.050600     -0.8160000    
 H    3.070000      -2.003100     -0.9073000    
 H   -3.823000      -3.229700      -1.467600    
 H   -3.524100      -4.050000      5.8499999E-02
 H    5.528400      -1.857000     -0.2826000    
 H    5.213700     -0.9902000      -1.779600    
 H   -5.742400      -1.994200     -0.4319000    
 H   -5.946400      -3.751600     -0.3178000    
 H   -5.438700      -2.825900       1.106300    
 H    6.724500      0.1477000      0.6308000    
 H    7.444100     -0.4188000     -0.8871000    
 H    6.406500       1.018400     -0.8827000    


%chk=000033429-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033429

0 1
N -1.135107 -0.434992 0.856635
N 1.171554 0.313718 0.693629
N -1.728585 -2.462775 -0.186728
N 2.706993 -1.024845 -0.489944
N 0.501010 -1.787029 -0.369428
C -0.362148 2.987292 1.062029
C -1.435220 3.077688 -0.045154
C -0.455259 1.688954 1.912668
C -1.338520 4.381944 -0.869445
C -0.124522 0.449018 1.111863
C -2.422956 4.484301 -1.963782
C -0.761689 -1.538694 0.106732
C 1.427279 -0.825671 -0.044381
C -3.132903 -2.348374 0.237295
C 3.824114 -0.107654 -0.216188
C -3.932657 -3.587052 -0.211808
C 5.116780 -0.618602 -0.882183
C -5.415900 -3.492395 0.202618
C 6.312111 0.316505 -0.603472
H -0.462229 3.859034 1.740105
H 0.649073 3.039902 0.613249
H -1.344277 2.206632 -0.725263
H -2.443693 3.005288 0.412858
H 0.264089 1.759765 2.750198
H -1.471990 1.573567 2.326578
H -1.418065 5.252614 -0.185996
H -0.333339 4.444000 -1.334611
H -2.348537 3.639563 -2.674647
H -2.330642 5.422484 -2.541877
H -3.436197 4.458167 -1.519733
H -3.178834 -2.236638 1.337519
H -3.579475 -1.427887 -0.187879
H 3.572803 0.904403 -0.588213
H 3.968232 -0.009876 0.877846
H -1.428001 -3.262684 -0.745789
H 2.867205 -1.880092 -1.024304
H -3.861068 -3.691971 -1.313640
H -3.479036 -4.497225 0.229775
H 5.346188 -1.636757 -0.507132
H 4.957744 -0.705019 -1.976013
H -5.898120 -2.605140 -0.248089
H -5.978758 -4.385483 -0.122346
H -5.516968 -3.409222 1.300700
H 6.505871 0.400166 0.482071
H 7.233093 -0.058925 -1.083941
H 6.118755 1.334196 -0.990484


