%chk=000063167.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063167

0 1
 I   -7.583600       3.812900     -0.2662000    
 O   -2.190200       2.474300     -0.3798000    
 N   -1.907500      0.1548000     -7.7500001E-02
 N   -3.844500      -1.206300      0.2458000    
 N    4.536000     -3.2900002E-02 -0.8290000    
 N    4.424500       1.397800      0.8681000    
 C  -0.4730000      0.2805000     -4.7400001E-02
 C   -2.558500      -1.082900      0.1172000    
 C   -4.116500       1.197500     -0.1127000    
 C   -2.650000       1.345000     -0.2264000    
 C    2.293700      0.5221000      1.0600000E-02
 C   -4.647500     -6.5800004E-02  0.1483000    
 C    3.730500      0.6486000      4.0600002E-02
 C   0.1665000      0.5500000       1.155700    
 C   0.2530000      0.1303000      -1.221900    
 C   -1.782700      -2.346500      0.1033000    
 C    1.555700      0.6713000       1.184800    
 C    1.642200      0.2516000      -1.192700    
 C    5.835800      0.2985000     -0.5436000    
 C    5.739500       1.192500      0.5192000    
 C   -4.954600       2.312800     -0.2327000    
 C   -6.033700     -0.2027000      0.2882000    
 C   -1.536100      -2.991700      -1.103600    
 C   -1.306900      -2.874700       1.298500    
 C    7.050200     -9.5200002E-02  -1.106600    
 C   -6.333500       2.162400     -9.1600001E-02
 C   -6.873200      0.9057000      0.1702000    
 C    6.914500       1.736100       1.065300    
 C    8.209500      0.4555000     -0.5506000    
 C    8.145200       1.355100      0.5160000    
 C  -0.8048000      -4.179300      -1.115700    
 C  -0.5756000      -4.062500       1.286500    
 C  -0.3245000      -4.714800      7.9400003E-02
 H  -0.4006000      0.6662000       2.075300    
 H  -0.2467000     -7.5199999E-02  -2.164700    
 H    2.043600      0.8793000       2.134000    
 H    2.185500      0.1431000      -2.128000    
 H    4.241200     -0.6798000      -1.548600    
 H   -4.533500       3.295200     -0.4321000    
 H   -6.469400      -1.179100      0.4868000    
 H   -1.906100      -2.582000      -2.039600    
 H   -1.497100      -2.373500       2.243700    
 H    7.097600     -0.7936000      -1.934400    
 H   -7.945100      0.7648000      0.2841000    
 H    6.875000       2.435700       1.894100    
 H    9.178900      0.1776000     -0.9571000    
 H    9.063700       1.766400      0.9269000    
 H  -0.6089000      -4.687000      -2.055600    
 H  -0.2012000      -4.479100       2.217000    
 H   0.2453000      -5.639400      7.0000000E-02


%chk=000063167-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063167

0 1
I -7.606676 3.952453 -0.079689
O -2.107352 2.440091 0.598208
N -1.935732 0.113756 0.212087
N -3.892615 -1.230117 -0.237242
N 4.607505 0.286171 -1.075149
N 4.532433 1.100387 1.055941
C -0.485375 0.238312 0.164699
C -2.588915 -1.132703 0.002825
C -4.132970 1.207889 0.094518
C -2.686451 1.349068 0.340370
C 2.335865 0.491654 0.035748
C -4.677266 -0.072159 -0.231433
C 3.796553 0.631569 0.022910
C 0.220608 0.815871 1.245653
C 0.208348 -0.186979 -0.990284
C -1.820058 -2.410368 0.086142
C 1.618660 0.937051 1.180559
C 1.609410 -0.067890 -1.050389
C 5.938489 0.549308 -0.726525
C 5.869049 1.060261 0.617577
C -4.962777 2.358387 0.143027
C -6.067563 -0.177826 -0.517762
C -2.185559 -3.466906 -0.789766
C -0.809328 -2.636901 1.058436
C 7.157656 0.401340 -1.418911
C -6.328678 2.223950 -0.143255
C -6.889769 0.958838 -0.477518
C 7.055412 1.433544 1.291988
C 8.328065 0.780084 -0.726695
C 8.277845 1.287544 0.606375
C -1.531588 -4.714049 -0.718310
C -0.168471 -3.890994 1.138139
C -0.517767 -4.930263 0.244718
H -0.324987 1.176038 2.121259
H -0.345679 -0.615239 -1.831355
H 2.186734 1.377029 2.005239
H 2.121192 -0.420295 -1.953619
H 4.284999 -0.076092 -1.969546
H -4.504393 3.318768 0.395260
H -6.475813 -1.163573 -0.758502
H -2.993044 -3.295315 -1.507963
H -0.533833 -1.848326 1.764315
H 7.207354 0.013808 -2.441844
H -7.957545 0.871431 -0.697261
H 7.009792 1.822670 2.313408
H 9.299282 0.683144 -1.224244
H 9.212666 1.569007 1.102966
H -1.816080 -5.517419 -1.406514
H 0.601918 -4.056314 1.898875
H -0.011449 -5.900093 0.304035


