%chk=000170365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170365

0 1
 O   0.1623000     -0.4690000      -2.473600    
 O  -0.1477000      -2.801700      0.9468000    
 O    5.168800       1.700100       1.186100    
 O    5.449300     -5.7000000E-02 -0.1069000    
 N    2.700000     -0.2703000     -0.4758000    
 N    1.060300      0.9857000      0.3402000    
 N    4.691500      0.7806000      0.4613000    
 C   -4.069800       1.114300     -0.1161000    
 C   -2.997300      5.0099999E-02  0.1698000    
 C  -0.8771000     -0.9030000     -0.3217000    
 C   -4.310000       1.963100       1.151100    
 C   -5.390100      0.4252000     -0.5235000    
 C   -3.694400       2.090000      -1.254400    
 C   -1.849100      6.3100003E-02 -0.5817000    
 C   0.3814000     -0.9078000      -1.125000    
 C   -3.238200     -0.8647000       1.163700    
 C    1.374100     -3.1500001E-02 -0.3972000    
 C   -1.085700      -1.850000      0.6810000    
 C   -2.266300      -1.830800       1.423800    
 C    3.306400      0.6881000      0.2864000    
 C    3.357300      -1.326100      -1.213200    
 C    2.274300       1.451500      0.7790000    
 H   -5.040100       2.758600      0.9605000    
 H   -4.698700       1.368900       1.985200    
 H   -3.381400       2.438200       1.489700    
 H   -5.800400     -0.1996000      0.2772000    
 H   -6.159600       1.164600     -0.7752000    
 H   -5.245900     -0.2165000      -1.401000    
 H   -4.494000       2.824000      -1.415800    
 H   -2.788800       2.663000      -1.023000    
 H   -3.550700       1.571600      -2.209800    
 H   -1.654600      0.7922000      -1.357300    
 H   0.7227000      -1.944100      -1.200600    
 H   -4.148100     -0.8692000       1.753800    
 H   -2.441900      -2.562700       2.207700    
 H    4.070000     -0.8794000      -1.911600    
 H    3.847100      -1.997900     -0.5036000    
 H    2.651600      -1.902800      -1.809500    
 H    1.013800     -0.5214000      -2.940300    
 H    2.336500       2.313300       1.428500    
 H  -0.4656000      -3.367200       1.671500    


%chk=000170365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170365

0 1
O 0.057470 -0.523882 -3.101403
O -0.085366 -3.315182 -0.208956
O 4.701134 2.451355 0.803184
O 4.479477 0.347471 1.689919
N 2.388419 -0.193072 -0.207476
N 1.602194 1.243370 -1.787899
N 4.147137 1.281226 0.846456
C -3.824526 1.120811 0.195688
C -2.824705 -0.053640 0.075788
C -0.756778 -1.077240 -0.832135
C -3.922274 1.565843 1.686396
C -5.228277 0.654705 -0.296326
C -3.394772 2.346628 -0.650226
C -1.661233 0.005671 -0.725868
C 0.455642 -0.980369 -1.769007
C -3.066427 -1.264357 0.783521
C 1.491935 -0.004056 -1.241220
C -1.024596 -2.258536 -0.105834
C -2.181918 -2.355970 0.700301
C 3.104859 1.020318 -0.098894
C 2.537470 -1.422774 0.601019
C 2.601505 1.885730 -1.084917
H -4.644606 2.397291 1.789327
H -4.261260 0.741760 2.339812
H -2.940788 1.912370 2.058790
H -5.609969 -0.193977 0.299558
H -5.956857 1.482567 -0.210709
H -5.188576 0.335491 -1.353749
H -4.136894 3.157009 -0.531088
H -2.413302 2.742851 -0.330099
H -3.337440 2.101277 -1.726704
H -1.444411 0.903158 -1.312206
H 0.898029 -1.985841 -1.885383
H -3.958041 -1.362057 1.412680
H -2.390739 -3.276701 1.260778
H 3.571097 -1.794186 0.535895
H 2.317213 -1.208618 1.658165
H 1.834581 -2.181950 0.226205
H 0.357331 0.428210 -3.182679
H 2.918201 2.902737 -1.296172
H -0.438038 -4.141939 0.201968


