%chk=000172901.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172901

0 1
 O  -0.9395000      -3.517100      7.1000002E-02
 O   -1.477700       2.467100     -9.4999999E-02
 O   -3.300400      -2.551400      0.1047000    
 O   -3.835400       3.431900     -5.4900002E-02
 O    6.858500      0.1012000     -0.2522000    
 N   0.9707000       1.712200     -0.1356000    
 N   -5.770100      -1.782700      0.1514000    
 C  -0.9512000      0.1698000     -3.8500000E-02
 C   -1.434900      -1.139200      1.3300000E-02
 C   -3.822400     -0.2555000      5.2200001E-02
 C   -3.338700       1.053500      3.0000001E-04
 C   0.4284000      0.4032000     -8.2699999E-02
 C    1.317900     -0.6714000     -7.5000003E-02
 C   -1.885600       1.314000     -4.7400001E-02
 C   -2.888200      -1.399700      6.0199998E-02
 C  -0.5388000      -2.214700      2.0700000E-02
 C   0.8354000      -1.977600     -2.3600001E-02
 C   -5.202100     -0.4888000      9.7000003E-02
 C    2.755000     -0.4712000     -0.1209000    
 C   -4.234800       2.129100     -6.8999999E-03
 C   -6.091600      0.5860000      8.9699998E-02
 C   -5.609000       1.892000      3.7900001E-02
 C    3.406500     -0.4111000      -1.349700    
 C    3.473800     -0.3403000       1.064200    
 C    4.787200     -0.2185000      -1.393900    
 C    4.854700     -0.1477000       1.020200    
 C    5.511500     -8.6599998E-02 -0.2090000    
 C    7.444000      0.8521000      0.8105000    
 C    8.676800       1.561500      0.2922000    
 H    1.531000      -2.815000     -1.7700000E-02
 H   -7.166000      0.4222000      0.1242000    
 H   -6.319000       2.715100      3.3399999E-02
 H    1.968700       1.866000     -0.1678000    
 H   0.3625000       2.518400     -0.1435000    
 H    2.856300     -0.5114000      -2.282200    
 H    2.976800     -0.3912000       2.030000    
 H   -5.184800      -2.605600      0.1586000    
 H   -6.775600      -1.890800      0.1813000    
 H    5.293400     -0.1716000      -2.354300    
 H    5.384100     -7.7600002E-02   1.965700    
 H  -0.1614000      -4.100400      6.7100003E-02
 H   -4.614600       4.013800     -5.0600000E-02
 H    6.759700       1.619800       1.193300    
 H    7.722200      0.1707000       1.622000    
 H    9.158500       2.140100       1.085400    
 H    9.398000      0.8399000     -0.1057000    
 H    8.416600       2.236700     -0.5296000    


%chk=000172901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172901

0 1
O -0.928831 -3.487529 -0.417806
O -1.654590 2.586258 0.121544
O -3.376364 -2.658223 -0.148547
O -4.096731 3.426459 0.323834
O 7.001708 0.209264 -0.241089
N 0.776116 1.874031 -0.069302
N -5.818232 -1.940180 0.045517
C -1.072827 0.252631 -0.055472
C -1.523959 -1.115030 -0.148606
C -3.945809 -0.328176 0.050615
C -3.502981 1.042510 0.121811
C 0.339119 0.569090 -0.100846
C 1.302214 -0.504586 -0.209471
C -2.051490 1.355734 0.065806
C -2.971377 -1.430818 -0.086617
C -0.551620 -2.142832 -0.303577
C 0.829553 -1.816928 -0.326420
C -5.355749 -0.643814 0.109891
C 2.772974 -0.253337 -0.210000
C -4.474157 2.078439 0.249784
C -6.292478 0.428723 0.238659
C -5.858018 1.749974 0.305875
C 3.605612 -0.842211 -1.205425
C 3.402356 0.514864 0.806444
C 4.999543 -0.669301 -1.190524
C 4.802362 0.694881 0.838505
C 5.607908 0.101128 -0.166712
C 7.693135 0.991816 0.805767
C 9.183162 0.942246 0.480609
H 1.565443 -2.629846 -0.398156
H -7.363349 0.199583 0.283750
H -6.596893 2.557057 0.404506
H 1.765935 2.080807 -0.187158
H 0.029552 2.592944 -0.001525
H 3.145195 -1.424384 -2.011803
H 2.795485 0.945371 1.610975
H -5.092440 -2.674211 -0.047274
H -6.816643 -2.131636 0.088141
H 5.637016 -1.114065 -1.960692
H 5.246664 1.280755 1.648348
H -0.113800 -4.046873 -0.514154
H -4.911556 3.987261 0.413540
H 7.312097 2.033671 0.797737
H 7.481273 0.543880 1.798417
H 9.754757 1.516684 1.232020
H 9.548239 -0.098774 0.483637
H 9.378880 1.375893 -0.514757


