%chk=000115565.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115565

0 1
 O   0.5345000     -0.1016000       2.383600    
 O   0.1411000      0.3009000      -2.368200    
 O   0.4229000      -3.783700     -0.3268000    
 N   0.5398000      -1.915400       1.000700    
 N   0.3096000      -1.717900      -1.319600    
 C   0.7112000      0.3374000     -3.5000001E-03
 C  -8.2000002E-02   1.668800      0.2337000    
 C    2.201000      0.8225000     -0.1890000    
 C   0.8016000       2.769700     -0.3464000    
 C    2.187900       2.330400      9.2299998E-02
 C   -1.519900       1.712800     -0.2690000    
 C   0.5649000     -0.5520000       1.237300    
 C   0.3309000     -0.3344000      -1.329800    
 C    3.278200      0.1055000      0.6190000    
 C   -2.367200      0.6152000      0.3712000    
 C   -3.816100      0.6834000     -0.1106000    
 C   0.4347000      -2.556000     -0.2234000    
 C   -4.673300     -0.3854000      0.5485000    
 H  -0.1342000       1.874000       1.312800    
 H    2.488300      0.7053000      -1.244100    
 H   0.5448000       3.758200      4.6900000E-02
 H   0.7330000       2.807100      -1.439400    
 H    2.975300       2.857200     -0.4556000    
 H    2.326900       2.531400       1.161700    
 H   -1.576000       1.651500      -1.360100    
 H   -1.949900       2.689100     -8.7000001E-03
 H    4.267400      0.5045000      0.3684000    
 H    3.139700      0.2364000       1.696700    
 H    3.289200     -0.9657000      0.3945000    
 H   -1.976400     -0.3767000      0.1281000    
 H   -2.340300      0.7175000       1.462900    
 H   0.5458000      -2.514600       1.821500    
 H   0.1525000      -2.171500      -2.215400    
 H   -3.853200      0.5550000      -1.198600    
 H   -4.238100       1.669800      0.1146000    
 H   -4.683600     -0.2646000       1.636400    
 H   -4.297400      -1.387300      0.3173000    
 H   -5.705000     -0.3185000      0.1894000    


%chk=000115565-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115565

0 1
O 0.985325 -0.029355 2.441251
O 0.279599 0.175216 -2.371073
O 0.096821 -3.840730 -0.050988
N 0.587896 -1.894367 1.150204
N 0.189038 -1.787733 -1.168376
C 0.802672 0.347390 0.020895
C -0.082710 1.659115 0.271321
C 2.292393 0.925796 -0.238187
C 0.801247 2.834616 -0.213821
C 2.219071 2.406190 0.208993
C -1.520016 1.658732 -0.289334
C 0.790252 -0.507271 1.291530
C 0.395095 -0.394758 -1.252901
C 3.448151 0.116050 0.375385
C -2.445668 0.575599 0.312562
C -3.906492 0.693485 -0.179586
C 0.280338 -2.598320 -0.025185
C -4.828665 -0.398353 0.403779
H -0.142203 1.734535 1.375891
H 2.402926 0.925337 -1.340223
H 0.481459 3.789494 0.240751
H 0.736331 2.936047 -1.313943
H 3.019607 3.003310 -0.264280
H 2.335726 2.480967 1.307156
H -1.499156 1.570842 -1.392200
H -1.954374 2.655432 -0.065688
H 4.410654 0.581711 0.094977
H 3.391948 0.098726 1.477816
H 3.469311 -0.927562 0.008187
H -2.069896 -0.437544 0.056139
H -2.426245 0.643158 1.420669
H 0.629035 -2.455615 2.007401
H -0.044899 -2.272259 -2.041397
H -3.922334 0.642219 -1.287264
H -4.298104 1.695348 0.090619
H -4.852405 -0.349835 1.508857
H -4.476865 -1.408522 0.120648
H -5.866265 -0.288789 0.038714


