%chk=000173886.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173886

0 1
 O  -0.2286000       2.005200      4.9300000E-02
 O    3.593100      -1.063200      0.5046000    
 N  -0.7317000      -1.424300      0.1230000    
 N   -1.267700     -0.1289000      0.1771000    
 N    2.214700      0.5885000     -0.3901000    
 N    5.757600      6.6799998E-02 -0.6688000    
 C   0.6286000      -1.296100     -0.1489000    
 C    1.024700     -1.5300000E-02 -0.1899000    
 C  -0.2152000      0.7843000      5.4900002E-02
 C   -2.650300      0.1498000      3.5799999E-02
 C   -1.214300      -2.417000       1.078000    
 C    1.500500      -2.495900     -0.3124000    
 C    4.620800      0.9387000     -0.3834000    
 C    3.447200      3.0600000E-02 -3.7999999E-02
 C   -3.151200       1.413300      0.3649000    
 C   -3.523500     -0.8361000     -0.4343000    
 C    4.968500       1.872000      0.7701000    
 C   -4.511600       1.688100      0.2255000    
 C   -4.883900     -0.5613000     -0.5737000    
 C   -5.377900      0.7009000     -0.2438000    
 H    2.192300       1.583000     -0.6018000    
 H   -1.109100      -3.423800      0.6605000    
 H   -2.263600      -2.284800       1.353900    
 H  -0.6330000      -2.367200       2.006200    
 H    1.882900      -2.844900      0.6512000    
 H    2.317900      -2.327600      -1.019100    
 H   0.9198000      -3.319300     -0.7458000    
 H    4.386000       1.525300      -1.278600    
 H   -2.515800       2.199000      0.7604000    
 H   -3.174200      -1.819200     -0.7366000    
 H    4.122200       2.528000       1.001500    
 H    5.828000       2.504600      0.5240000    
 H    5.203400       1.312500       1.683000    
 H   -4.897700       2.668700      0.4882000    
 H   -5.557700      -1.327100     -0.9468000    
 H   -6.437100      0.9149000     -0.3527000    
 H    6.574200      0.6320000     -0.8986000    
 H    5.559800     -0.4940000      -1.496900    


%chk=000173886-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173886

0 1
O -0.052945 1.899781 0.206987
O 3.903273 -1.267421 -0.476009
N -0.755178 -1.591019 0.127724
N -1.178427 -0.231593 0.295712
N 2.315555 0.423723 -0.174135
N 5.977249 0.439260 -0.476483
C 0.665662 -1.584521 0.005667
C 1.099296 -0.263693 0.006922
C -0.054635 0.625961 0.194777
C -2.546324 0.141645 0.120603
C -1.407695 -2.574339 1.029119
C 1.384002 -2.900556 -0.068276
C 4.662423 1.071861 -0.615571
C 3.596700 -0.035040 -0.399709
C -3.016176 1.329097 0.736728
C -3.416868 -0.647322 -0.674655
C 4.525173 2.271852 0.358245
C -4.361326 1.714144 0.558038
C -4.764412 -0.257687 -0.827722
C -5.244331 0.921762 -0.212646
H 2.169472 1.442202 -0.117277
H -1.109410 -3.584483 0.711045
H -2.500847 -2.487811 0.939327
H -1.116933 -2.418124 2.086889
H 1.334366 -3.446016 0.894228
H 2.443011 -2.715568 -0.301798
H 0.941827 -3.548437 -0.847734
H 4.473880 1.455745 -1.651754
H -2.327002 1.941179 1.323138
H -3.028480 -1.531230 -1.191204
H 3.599412 2.859602 0.201637
H 5.374372 2.960108 0.200536
H 4.565375 1.920518 1.402880
H -4.720756 2.635419 1.029148
H -5.434288 -0.868504 -1.443003
H -6.289437 1.223660 -0.338970
H 6.744178 0.913778 -0.954450
H 5.948344 -0.577731 -0.606054


