%chk=000100150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100150

0 1
 O    7.909500       2.059400      -1.412000    
 O    4.307300       1.486400       2.067000    
 O    5.898500       1.744900      -2.415500    
 O    7.471500      -3.612300     -0.9515000    
 O    8.225600      -2.640500      0.9550000    
 O   -6.833000       2.369700      0.3998000    
 N    4.750200      0.9084000     -0.1349000    
 N   -1.602500      5.1500000E-02  0.1507000    
 N   -5.482200      -2.125000     -0.2440000    
 N   -7.675000      -1.351300     -0.7965000    
 N   -8.361700      0.9041000     -0.4758000    
 N   -9.805300     -0.7165000      -1.360700    
 C    6.175800       1.111500     -8.0300003E-02
 C    6.936300     -0.1445000      0.3624000    
 C    6.811000      -1.362200     -0.5620000    
 C   -2.483000     -0.3329000       1.210100    
 C    2.479700      0.8375000      0.7489000    
 C   -3.869000     -0.5778000      0.6810000    
 C    3.923500       1.116400      0.9605000    
 C  -0.2315000      0.3146000      0.3516000    
 C    6.614400       1.648700      -1.427100    
 C   -6.076300      0.1770000      0.1188000    
 C   -4.802500      0.4480000      0.6164000    
 C    1.676000      0.4652000       1.826500    
 C    1.927800      0.9484000     -0.5273000    
 C   0.3204000      0.2037000       1.627900    
 C   0.5721000      0.6869000     -0.7260000    
 C   -6.385400      -1.117000     -0.3028000    
 C   -4.254000      -1.833100      0.2430000    
 C    7.569000      -2.578400     -7.5099997E-02
 C   -7.116500       1.235700      2.6400000E-02
 C   -8.590700     -0.3262000     -0.8546000    
 H    6.363900       1.909000      0.6499000    
 H    6.593400     -0.4318000       1.365300    
 H    8.001100      0.1013000      0.4679000    
 H    5.757400      -1.647400     -0.6556000    
 H    7.196500      -1.108500      -1.555700    
 H    4.373100      0.5234000     -0.9947000    
 H   -2.531800      0.4459000       1.981900    
 H   -2.131500      -1.249400       1.701400    
 H   -1.958200      0.1509000     -0.7942000    
 H   -4.534400       1.446600      0.9500000    
 H    2.088700      0.3695000       2.827400    
 H    2.510300       1.265800      -1.387000    
 H  -0.2684000     -8.2500003E-02   2.494100    
 H   0.1522000      0.7836000      -1.723900    
 H   -3.567800      -2.674300      0.2670000    
 H   -7.899000      -2.290100      -1.102100    
 H    8.187900       2.422100      -2.279900    
 H    7.976200      -4.397000     -0.6484000    
 H   -9.974300      -1.672900      -1.652500    
 H   -10.56960     -5.7000000E-02  -1.457500    


%chk=000100150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100150

0 1
O 8.070408 2.296751 -1.025718
O 4.500998 0.658770 2.176187
O 6.082560 2.097379 -2.207682
O 7.588975 -3.360152 -1.530584
O 8.318159 -2.733005 0.582607
O -6.784577 2.593093 -0.520041
N 4.814664 0.913734 -0.102288
N -1.651630 -0.099515 0.266319
N -5.745363 -2.097519 0.297867
N -7.807824 -1.384897 -0.585399
N -8.366416 0.928653 -1.001469
N -9.909423 -0.755233 -1.467099
C 6.247942 1.163030 0.077260
C 7.070953 -0.132796 0.356345
C 6.949026 -1.169168 -0.773154
C -2.614550 -0.175623 1.375986
C 2.539522 0.485363 0.748669
C -4.013881 -0.441260 0.852422
C 3.999283 0.687646 1.001896
C -0.284983 0.096482 0.441311
C 6.747792 1.889282 -1.165353
C -6.151849 0.307938 -0.070698
C -4.863133 0.604677 0.423685
C 1.682046 0.412422 1.876811
C 1.956040 0.353284 -0.543314
C 0.297699 0.225574 1.739321
C 0.575427 0.162096 -0.698439
C -6.532590 -1.061830 -0.106499
C -4.509402 -1.771848 0.765190
C 7.688483 -2.454033 -0.460032
C -7.106319 1.369634 -0.540461
C -8.669722 -0.368461 -1.010984
H 6.392563 1.821481 0.956928
H 6.695391 -0.553285 1.304059
H 8.126811 0.147115 0.514443
H 5.886965 -1.423402 -0.955826
H 7.338037 -0.786072 -1.737101
H 4.431576 1.099989 -1.032620
H -2.606268 0.769959 1.959019
H -2.318848 -0.985670 2.075435
H -2.022311 -0.150058 -0.682403
H -4.558435 1.656667 0.464308
H 2.139265 0.507316 2.867506
H 2.572052 0.376079 -1.450315
H -0.329271 0.183395 2.634970
H 0.148327 0.056369 -1.703419
H -3.886988 -2.614515 1.088996
H -8.056343 -2.377461 -0.596599
H 8.367642 2.764208 -1.852872
H 8.077305 -4.195400 -1.294641
H -10.221347 -1.722031 -1.505932
H -10.528740 -0.007650 -1.773298


