%chk=000170471.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170471

0 1
 O  -0.5730000      -1.758000      0.6954000    
 O   -2.409300       2.487900      0.1850000    
 N   0.7363000      8.2800001E-02  0.1546000    
 N   -1.545200      0.3600000      0.4902000    
 N    2.170700       1.750100     -0.3887000    
 N  -0.1726000       2.249200     -0.1023000    
 C   -2.864200     -0.1546000      0.8409000    
 C    2.025700     -0.4832000      4.7499999E-02
 C   -3.645800     -0.6315000     -0.3788000    
 C   0.8447000       1.454700     -0.1182000    
 C  -0.4573000     -0.5538000      0.4683000    
 C    2.902700      0.5659000     -0.2896000    
 C   -5.041000      -1.146800     -1.8400000E-02
 C   -1.427500       1.742700      0.1918000    
 C    2.470200      -1.778100      0.2153000    
 C    4.250300      0.3447000     -0.4679000    
 C   -5.818300      -1.558700      -1.258900    
 C    3.837100      -2.010800      3.5500001E-02
 C    4.716600     -0.9625000     -0.3018000    
 H   -2.748100     -0.9844000       1.548100    
 H   -3.430200      0.6277000       1.359900    
 H   -3.083900      -1.423800     -0.8892000    
 H   -3.737200      0.1929000      -1.097200    
 H    2.561500       2.649800     -0.6208000    
 H   -5.599500     -0.3670000      0.5123000    
 H   -4.956000      -2.004500      0.6588000    
 H    1.809200      -2.595300      0.4750000    
 H    4.930400       1.148000     -0.7271000    
 H   -5.300200      -2.357400      -1.799000    
 H   -6.810900      -1.925700     -0.9795000    
 H   -5.948800     -0.7114000      -1.939700    
 H    4.230600      -3.016800      0.1580000    
 H    5.774100      -1.176300     -0.4343000    


%chk=000170471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170471

0 1
O -0.563116 -1.762708 0.748990
O -2.485092 2.513089 0.248530
N 0.764279 0.081897 0.168258
N -1.536570 0.382613 0.524368
N 2.161169 1.739366 -0.395811
N -0.172156 2.318906 -0.102832
C -2.886535 -0.155815 0.852182
C 2.055349 -0.500136 0.057619
C -3.665187 -0.597620 -0.405234
C 0.832356 1.464281 -0.111190
C -0.475131 -0.531733 0.501335
C 2.938717 0.562630 -0.301700
C -5.063243 -1.144309 -0.038210
C -1.443276 1.814390 0.214464
C 2.510866 -1.815748 0.235865
C 4.311247 0.334746 -0.493568
C -5.864720 -1.594559 -1.278163
C 3.895327 -2.043672 0.042322
C 4.776713 -0.991030 -0.314832
H -2.742891 -1.010346 1.534826
H -3.431174 0.649925 1.371372
H -3.089651 -1.379501 -0.938250
H -3.771159 0.267022 -1.087637
H 2.480677 2.676129 -0.633562
H -5.630773 -0.362083 0.505436
H -4.952036 -1.997936 0.661088
H 1.817807 -2.613017 0.511086
H 4.996262 1.142301 -0.768799
H -5.332614 -2.395461 -1.825139
H -6.860180 -1.982623 -0.994824
H -6.016854 -0.752463 -1.978804
H 4.291588 -3.055715 0.171922
H 5.841102 -1.205021 -0.455908


