%chk=000148647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148647

0 1
 O    3.823500       1.152800     -0.6971000    
 O    2.586700       2.843000      0.1534000    
 O    1.094900      -1.172300      -2.300800    
 O    2.747800     -0.2428000       1.893000    
 N   -2.101700      -1.468000       1.350800    
 N    1.905900     -0.6371000     -0.1928000    
 N    2.610000      -1.121400       1.034900    
 C   0.4838000       1.066400      0.8763000    
 C  -0.7182000      0.2082000      0.8998000    
 C    1.473800      0.7361000     -0.2636000    
 C   -1.948800      0.4543000      0.2289000    
 C   -2.799200     -0.6122000      0.5285000    
 C  -0.8431000     -0.9806000       1.580900    
 C   -2.422200       1.485100     -0.6070000    
 C    2.664100       1.684000     -0.2405000    
 C   -4.104700     -0.6996000      3.1900000E-02
 C   -3.725800       1.411000      -1.110900    
 C   -4.552400      0.3345000     -0.7951000    
 C    1.669200      -1.509200      -1.262500    
 C    2.156400      -2.932200      -1.108200    
 H   0.1571000       2.108100      0.7434000    
 H   0.9482000       1.079900       1.867300    
 H   0.9727000      0.9168000      -1.222600    
 H  -0.1564000      -1.524700       2.214000    
 H   -2.467000      -2.330500       1.730400    
 H   -1.791100       2.330700     -0.8649000    
 H   -4.748800      -1.537300      0.2772000    
 H   -4.096200       2.202900      -1.756500    
 H   -5.561400      0.2971000      -1.197700    
 H    1.909500      -3.502300      -2.008700    
 H    3.241700      -2.946700     -0.9766000    
 H    1.666400      -3.407000     -0.2538000    
 H    4.560600       1.799300     -0.6660000    


%chk=000148647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148647

0 1
O 3.706522 1.297909 -0.882190
O 2.632555 2.910566 0.403122
O 0.790014 -0.968975 -2.191798
O 3.190648 -0.365708 1.642373
N -2.247368 -1.414830 1.599785
N 1.918685 -0.611998 -0.191547
N 2.784957 -1.186494 0.752037
C 0.520532 1.060042 1.108489
C -0.724587 0.215174 1.093719
C 1.463176 0.795748 -0.107965
C -1.900186 0.401481 0.257267
C -2.839379 -0.635525 0.597210
C -0.978023 -0.898299 1.896140
C -2.255241 1.349471 -0.739254
C 2.638071 1.778732 -0.120544
C -4.102901 -0.747617 -0.023490
C -3.513523 1.244560 -1.361770
C -4.426909 0.206759 -1.008719
C 1.508171 -1.457943 -1.287186
C 1.999910 -2.887943 -1.261108
H 0.269772 2.136002 1.069165
H 1.092293 0.907673 2.038707
H 0.899077 0.944284 -1.050824
H -0.352300 -1.348715 2.665212
H -2.679973 -2.213199 2.058313
H -1.566652 2.155336 -1.018953
H -4.809115 -1.541361 0.244932
H -3.801248 1.968196 -2.132260
H -5.398017 0.151779 -1.513124
H 1.563045 -3.414356 -2.122101
H 3.101161 -2.924933 -1.319515
H 1.713506 -3.391415 -0.322904
H 4.438626 1.971899 -0.885818


