%chk=000167869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167869

0 1
 O    3.568200     -0.3081000     -0.1258000    
 N   -1.449300     -0.5096000      0.4688000    
 N   0.7793000      0.2415000      2.0199999E-02
 C   -2.608100      8.2999999E-03 -0.2467000    
 C   -2.671300     -0.2737000       1.226000    
 C  -0.4519000      0.5076000      0.7611000    
 C   -3.292000     -0.9439000      -1.164200    
 C   -2.652000       1.429100     -0.6912000    
 C    1.321200      -1.079900      0.3661000    
 C    1.782600       1.282000      0.2846000    
 C    2.611700      -1.329900     -0.4092000    
 C    3.061600      0.9765000     -0.4898000    
 H   -2.693100      0.5513000       1.927600    
 H   -3.186100      -1.163500       1.566400    
 H  -0.7407000       1.548700      0.6026000    
 H  -0.2269000      0.4547000       1.837500    
 H   -2.866900     -0.8801000      -2.171900    
 H   -3.200100      -1.985400     -0.8341000    
 H   -4.361100     -0.7148000      -1.231700    
 H   -2.642100       2.150900      0.1332000    
 H   -1.839400       1.657400      -1.389800    
 H   -3.587800       1.625600      -1.229200    
 H   0.6234000      -1.884800      0.1107000    
 H    1.529600      -1.138100       1.442700    
 H    2.009100       1.329700       1.357700    
 H    1.407200       2.263200     -2.7799999E-02
 H    3.048900      -2.286900     -0.1070000    
 H    2.432400      -1.373900      -1.490500    
 H    2.896700       1.011400      -1.573700    
 H    3.829800       1.717900     -0.2478000    


%chk=000167869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167869

0 1
O 3.428768 -0.265015 -0.560522
N -1.539827 -0.444700 0.813423
N 0.716020 0.245962 0.315890
C -2.535929 0.016248 -0.237071
C -2.932938 -0.047395 1.238019
C -0.426361 0.442280 1.225131
C -2.981141 -1.102981 -1.171118
C -2.391579 1.379436 -0.910578
C 1.304729 -1.115886 0.406184
C 1.767099 1.282255 0.455620
C 2.370169 -1.286814 -0.684216
C 2.832777 1.078634 -0.636179
H -3.058846 0.914357 1.758896
H -3.566911 -0.857779 1.615152
H -0.674214 1.529005 1.214192
H -0.189125 0.166091 2.284298
H -2.284692 -1.192089 -2.025863
H -2.990499 -2.068546 -0.637690
H -3.994759 -0.907539 -1.569360
H -2.184245 2.193063 -0.194043
H -1.571638 1.356451 -1.651819
H -3.328895 1.635600 -1.438429
H 0.492472 -1.851853 0.278949
H 1.774819 -1.284149 1.408434
H 2.263997 1.241640 1.458108
H 1.310235 2.284489 0.340371
H 2.888162 -2.255652 -0.591519
H 1.894357 -1.209800 -1.685629
H 2.367558 1.226716 -1.635085
H 3.673336 1.781174 -0.508745


