%chk=000049652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049652

0 1
 I   0.5423000      -2.539900      -1.346800    
 I   -3.050900       2.327800     -0.5224000    
 I    2.987700       2.824600      0.2334000    
 O   -2.526100     -0.8052000      -2.345400    
 O  -0.1110000       4.495100     -0.7852000    
 O    5.016100      -2.761800      0.7285000    
 O    2.549100      -1.986400       1.058700    
 O   -3.642800      -2.446000       2.100800    
 O   -5.331400      -3.593000       1.110400    
 N    2.705600     -0.2849000     -0.5616000    
 N   -2.749200      -1.377900     -0.1096000    
 N  -0.3671000       3.942600       1.452300    
 C  -0.9609000      9.7000003E-02 -0.8507000    
 C    1.428400      0.2945000     -0.5523000    
 C   7.1000000E-03   2.220900     -0.2264000    
 C   0.3093000     -0.4792000     -0.8598000    
 C   -1.112100       1.447000     -0.5340000    
 C    1.277300       1.644600     -0.2356000    
 C   -2.135200     -0.7152000      -1.173200    
 C  -0.1512000       3.637100      0.1079000    
 C    3.170100      -1.350800      0.2122000    
 C   -3.901700      -2.235000     -0.2703000    
 C    4.614700      -1.683900     -9.1399997E-02
 C  -0.5653000       5.290100       1.935900    
 C   -4.374800      -2.832100       1.030000    
 C    6.372000      -3.130000      0.4945000    
 H    3.439400      0.3394000     -0.8925000    
 H   -2.363800      -1.258800      0.8233000    
 H   -4.707900      -1.636500     -0.7048000    
 H   -3.627300      -3.041700     -0.9565000    
 H  -0.3684000       3.189400       2.134100    
 H    4.698800      -1.958900      -1.148700    
 H    5.232800     -0.8028000      0.1149000    
 H   0.4034000       5.687800       2.248100    
 H   -1.241300       5.253500       2.793200    
 H  -0.9882000       5.923500       1.152400    
 H    6.620300      -3.964800       1.155200    
 H    7.039300      -2.292800      0.7207000    
 H    6.506700      -3.451300     -0.5428000    
 H   -3.970700      -2.847000       2.933700    


%chk=000049652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049652

0 1
I 0.459197 -2.573322 -1.523144
I -2.897502 2.459768 -0.375165
I 3.151063 2.419056 0.850629
O -2.562059 -0.512393 -2.500191
O 0.269729 4.507820 -0.429054
O 5.165797 -1.408847 -0.314314
O 2.157737 -2.065015 1.607588
O -3.915898 -2.792156 1.568433
O -5.674976 -3.637976 0.300331
N 2.722710 -0.623932 -0.165927
N -2.855113 -1.382274 -0.367104
N -0.170054 3.868410 1.776309
C -0.944308 0.078965 -0.756896
C 1.481704 0.063155 -0.251841
C 0.150285 2.129164 0.097390
C 0.308343 -0.582870 -0.731482
C -1.003566 1.431300 -0.338269
C 1.377049 1.424809 0.145680
C -2.182558 -0.623359 -1.297122
C 0.089413 3.612074 0.446162
C 2.982229 -1.628117 0.758314
C -4.054968 -2.122659 -0.754533
C 4.402828 -2.193516 0.654079
C -0.271691 5.232083 2.308830
C -4.653885 -2.929292 0.382689
C 6.516784 -1.920996 -0.545612
H 3.534353 -0.325518 -0.724881
H -2.511660 -1.484540 0.591139
H -4.832192 -1.433886 -1.139540
H -3.835250 -2.815154 -1.591212
H -0.298628 3.075308 2.407472
H 4.866398 -2.156892 1.661376
H 4.329025 -3.257026 0.339777
H 0.487032 5.408778 3.092857
H -1.277612 5.420627 2.726510
H -0.094560 5.929905 1.475267
H 6.976696 -1.250463 -1.287083
H 6.488427 -2.954762 -0.947080
H 7.114859 -1.906805 0.388236
H -4.322078 -3.340452 2.291581


