%chk=000126558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126558

0 1
 I   -6.358200      -1.406700      -1.415300    
 O   -1.889100      0.6885000      0.1897000    
 N   0.4003000       1.043200      0.4454000    
 N    2.167800       1.677400     -0.7560000    
 N    1.069700      -1.223200       1.007300    
 N    3.253600      -1.762700      6.0800001E-02
 N    4.511000     -0.1982000      -1.242400    
 C    1.248500     -2.7100001E-02  0.4268000    
 C    2.338300      0.3867000     -0.3224000    
 C  -0.8832000       1.119000       1.100100    
 C   0.9959000       2.041700     -0.2787000    
 C    3.367000     -0.5335000     -0.4978000    
 C   -3.181200      0.7356000      0.7789000    
 C    2.128600      -2.027200      0.7682000    
 C   -4.185200      0.2727000     -0.2267000    
 C   -4.983700     -0.7861000     -3.7999999E-02
 H  -0.8601000      0.4786000       1.988600    
 H   -1.053900       2.158800       1.400500    
 H   0.5309000       3.007200     -0.4251000    
 H   -3.198300      0.1085000       1.678100    
 H   -3.415600       1.766400       1.068600    
 H    2.071600      -3.020200       1.201200    
 H    5.244800     -0.8843000      -1.355800    
 H    4.597900      0.7182000      -1.660500    
 H   -4.249500      0.8504000      -1.145800    
 H   -4.926200      -1.364900      0.8775000    


%chk=000126558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126558

0 1
I -6.679833 -0.828730 -1.721734
O -1.936255 0.722591 0.201980
N 0.390073 1.017940 0.456435
N 2.039543 1.596253 -1.033424
N 1.341421 -1.114822 1.309478
N 3.504393 -1.641677 0.260338
N 4.520113 -0.256264 -1.363081
C 1.350363 -0.004158 0.521709
C 2.360622 0.377284 -0.399266
C -0.870260 1.029956 1.166447
C 0.857088 1.941539 -0.498646
C 3.476551 -0.503509 -0.513231
C -3.245794 0.578599 0.872578
C 2.459531 -1.878694 1.111396
C -4.289341 0.433595 -0.206391
C -5.148195 -0.609384 -0.245332
H -0.809883 0.257301 1.959202
H -1.048477 2.028824 1.618888
H 0.284828 2.827234 -0.765458
H -3.237234 -0.298841 1.553117
H -3.452897 1.490639 1.479395
H 2.530376 -2.794581 1.705377
H 5.289038 -0.921751 -1.406656
H 4.512928 0.577227 -1.947028
H -4.316984 1.229375 -0.959541
H -5.140014 -1.437147 0.470647


