%chk=000131468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131468

0 1
 O    3.476600      -1.370100     -0.9066000    
 O    1.123600       3.260800      0.3970000    
 O   0.6835000      -2.316900     -0.5075000    
 O   -4.184800      -1.469000      0.3679000    
 O   -4.539300       1.111600     -0.5869000    
 N    1.683600     -0.3875000      0.2794000    
 N   0.1799000       1.692000      -1.069400    
 C    1.576000      0.9416000      0.8710000    
 C    2.902800       1.111500       1.623900    
 C    3.042000     -0.9103000      0.3624000    
 C    3.883500      0.2780000      0.8119000    
 C    1.326800       1.987400     -0.2161000    
 C   0.6111000      -1.138800     -0.1630000    
 C  -0.7088000     -0.4608000     -0.2293000    
 C  -0.8670000      0.8505000     -0.7179000    
 C   -1.827200      -1.235300      0.1218000    
 C   -2.179500       1.349300     -0.8287000    
 C    4.836000      -1.782600     -0.8740000    
 C   -3.112100     -0.7105000      8.3999997E-03
 C   -3.289000      0.5817000     -0.4692000    
 C   -4.617500      -1.382600       1.724800    
 H   0.7555000      0.9597000       1.600200    
 H    2.812400      0.6818000       2.629600    
 H    3.217700       2.153400       1.730300    
 H    3.043300      -1.730200       1.091000    
 H    4.244000      0.8641000     -4.2700000E-02
 H    4.755600     -2.3300000E-02   1.400600    
 H    2.205600       2.078800     -0.8643000    
 H  -5.5700000E-02   2.426200      -1.730900    
 H   0.8648000       3.874500     -0.3110000    
 H   -1.702500      -2.252300      0.4879000    
 H   -2.339900       2.362400      -1.195700    
 H    5.047100      -2.313800      -1.806700    
 H    5.021700      -2.469200     -4.1700002E-02
 H    5.513400     -0.9258000     -0.8228000    
 H   -5.188200      0.4329000     -0.3329000    
 H   -5.501800      -2.014600       1.843100    
 H   -4.885700     -0.3531000       1.982500    
 H   -3.834700      -1.745800       2.398100    


%chk=000131468-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131468

0 1
O 4.047602 -0.715965 -0.401536
O 1.280172 3.462084 -0.034350
O 0.798381 -2.249299 0.633912
O -4.252428 -1.141884 0.707124
O -4.466303 1.025857 -0.844575
N 1.854644 -0.173354 0.530792
N 0.349188 1.522392 -1.241975
C 1.808154 1.292199 0.750552
C 3.207549 1.642448 1.335500
C 3.197186 -0.726070 0.795765
C 3.802874 0.280775 1.784303
C 1.495590 2.071359 -0.535022
C 0.722802 -0.985613 0.460851
C -0.585586 -0.315781 0.180149
C -0.747225 0.849029 -0.636946
C -1.741436 -1.004782 0.648214
C -2.061589 1.282356 -0.970343
C 3.556757 -1.619115 -1.451470
C -3.024099 -0.564119 0.318017
C -3.186309 0.587905 -0.509190
C -4.189641 -2.361956 1.514960
H 1.002291 1.534269 1.471144
H 3.124989 2.370402 2.156842
H 3.839723 2.091342 0.550325
H 3.084312 -1.760669 1.169824
H 4.903229 0.260713 1.745170
H 3.479066 0.022480 2.808567
H 2.366172 2.066344 -1.222064
H 0.116408 2.001349 -2.115645
H 1.340257 4.099870 -0.790141
H -1.570057 -1.916951 1.227534
H -2.214460 2.177105 -1.581993
H 4.321653 -1.606178 -2.243825
H 2.587488 -1.270339 -1.858471
H 3.428203 -2.649140 -1.063379
H -5.125016 0.414257 -0.417837
H -5.235394 -2.647641 1.699911
H -3.674982 -2.170387 2.475703
H -3.667365 -3.169590 0.968103


