%chk=000104678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104678

0 1
 O   -1.217200      -2.346000      0.3760000    
 O    3.078600     -0.7848000     -0.3770000    
 O    2.443100       2.223200     -0.9620000    
 N  -0.7796000     -7.8199998E-02  0.6179000    
 N   0.9352000      -1.601300     -1.2800000E-02
 N  -0.3275000       2.285500      0.8723000    
 N    2.351800       1.717300      0.1572000    
 C   -3.047900      0.5051000     -0.2352000    
 C   -2.174600      0.1908000      0.9845000    
 C   -3.061800     -0.6880000      -1.191400    
 C   -2.562600       1.757000     -0.9696000    
 C   0.1139000       1.007800      0.5742000    
 C  -0.4158000      -1.405700      0.3313000    
 C    1.405500      0.7765000      0.2382000    
 C    1.898100     -0.5958000     -8.0300003E-02
 C    1.360900      -2.963700     -0.3233000    
 H   -4.073300      0.6807000      0.1129000    
 H   -2.254500      0.9578000       1.760300    
 H   -2.578600     -0.7086000       1.468700    
 H   -3.784900     -0.5048000      -1.995300    
 H   -3.383600      -1.603300     -0.6854000    
 H   -2.096400     -0.8553000      -1.677800    
 H   -1.574800       1.638900      -1.422400    
 H   -2.588400       2.638900     -0.3245000    
 H   -3.248000       1.974100      -1.798600    
 H   0.7425000      -3.346600      -1.141500    
 H    1.188400      -3.591100      0.5572000    
 H    2.413500      -3.025000     -0.6088000    
 H   -1.232700       2.454700       1.281700    
 H   0.3229000       3.060700      0.8309000    


%chk=000104678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104678

0 1
O -1.153697 -2.361370 0.541348
O 3.184956 -0.941804 -0.487527
O 3.539226 1.917134 -0.233977
N -0.744819 -0.047479 0.521055
N 0.999509 -1.639792 0.014459
N -0.210687 2.272333 0.694956
N 2.280162 1.947169 0.047787
C -3.171637 0.461955 -0.237682
C -2.171762 0.158324 0.918140
C -3.102058 -0.597766 -1.361788
C -3.063155 1.891481 -0.820445
C 0.163408 0.990927 0.436572
C -0.330077 -1.422301 0.362428
C 1.537318 0.746913 0.096938
C 2.018046 -0.607935 -0.156607
C 1.405641 -3.054230 -0.169501
H -4.167191 0.377086 0.248416
H -2.206734 0.951248 1.689437
H -2.474252 -0.788260 1.394918
H -3.915195 -0.434403 -2.091660
H -3.188569 -1.620883 -0.959159
H -2.143681 -0.530883 -1.910247
H -2.107221 2.046588 -1.353361
H -3.168189 2.669091 -0.036220
H -3.875032 2.063590 -1.549605
H 0.790041 -3.526011 -0.952220
H 1.268516 -3.613883 0.770129
H 2.465364 -3.047976 -0.462528
H -1.174795 2.569528 0.809548
H 0.568761 2.942410 0.593796


