%chk=000052191.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052191

0 1
 O    1.214000      0.6810000      -2.089700    
 O  -0.6762000      8.0100000E-02   2.166600    
 O    1.705300      -3.289100      0.1580000    
 N    1.374400      -1.334900      -1.006800    
 N   0.4297000      -1.635400       1.119100    
 C  -0.2758000      0.2990000     -0.2150000    
 C  -0.3081000       1.821100     -1.4400000E-02
 C   -1.594500     -0.1564000     -0.8652000    
 C   0.9680000       2.366500      0.6341000    
 C   0.8473000     -6.4000003E-02  -1.181400    
 C  -0.1847000     -0.3922000       1.141700    
 C   -1.770000      0.5117000      -2.225800    
 C    1.251300       1.736100       1.998400    
 C    2.153500       2.125100     -0.3035000    
 C   -2.753100      0.1711000      3.6600001E-02
 C    1.191100      -2.171500      8.7600000E-02
 C   -3.572200     -0.7483000      0.5599000    
 H  -0.4347000       2.364200     -0.9570000    
 H   -1.135400       2.134300      0.6322000    
 H   -1.566000      -1.242000      -1.037000    
 H   0.8464000       3.448900      0.7693000    
 H  -0.9917000      0.2464000      -2.945100    
 H   -1.867500       1.599800      -2.184700    
 H   -2.706700      0.1563000      -2.676900    
 H    1.665200      0.7271000       1.976700    
 H   0.4292000       1.877000       2.704000    
 H    2.069300       2.318300       2.449800    
 H    2.599100       1.129900     -0.2608000    
 H    2.974900       2.752700      7.7299997E-02
 H    1.993500       2.530400      -1.306000    
 H   -2.996900       1.212800      0.2261000    
 H    2.026200      -1.657300      -1.716600    
 H   0.3851000      -2.179300       1.976200    
 H   -4.413500     -0.4484000       1.175200    
 H   -3.419500      -1.808100      0.3889000    


%chk=000052191-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052191

0 1
O 1.034054 0.349922 -2.337896
O -0.825838 -0.023168 2.137568
O 1.811604 -3.379099 0.312685
N 1.359470 -1.491965 -0.992551
N 0.436732 -1.689704 1.166980
C -0.260722 0.278519 -0.238955
C -0.136409 1.823184 -0.043761
C -1.702895 -0.112750 -0.902300
C 1.155044 2.439996 0.587491
C 0.766571 -0.239790 -1.257992
C -0.230479 -0.446922 1.115718
C -2.037676 0.746929 -2.150885
C 1.374108 2.123228 2.087994
C 2.455194 2.170487 -0.210021
C -2.850403 -0.032546 0.089125
C 1.238636 -2.270163 0.172062
C -3.712150 -1.050574 0.330443
H -0.256681 2.275007 -1.044048
H -0.996723 2.138981 0.575723
H -1.610230 -1.170265 -1.226446
H 0.964136 3.533292 0.521810
H -1.191981 0.798209 -2.856499
H -2.323230 1.775066 -1.867751
H -2.903541 0.293737 -2.664570
H 1.715244 1.083434 2.246473
H 0.450126 2.260340 2.675767
H 2.156553 2.788875 2.498451
H 2.783748 1.117502 -0.114855
H 3.274134 2.799231 0.186578
H 2.334406 2.387662 -1.285449
H -3.001847 0.935514 0.585987
H 1.976064 -1.871793 -1.718492
H 0.367715 -2.212564 2.046285
H -4.561231 -0.931680 1.011916
H -3.594501 -2.033231 -0.144786


