%chk=000105905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105905

1 1
 O    3.817800       1.623100      0.4178000    
 O    4.656700     -0.1695000     -0.9572000    
 N   -1.466200     -0.3403000      0.6795000    
 N   -3.943100     -1.2500000E-02  0.5771000    
 N   -2.702900     -0.6114000      -1.476800    
 N   -2.445700       1.641200     -0.4898000    
 C   -2.815000     -0.5015000       1.398800    
 C   -1.576500      -1.099500     -0.6525000    
 C   -1.319600       1.150200      0.3334000    
 C   -3.958000     -0.7724000     -0.6990000    
 C   -3.707500       1.419700      0.2618000    
 C   -2.500800      0.8369000      -1.737100    
 C  -0.3179000     -0.8390000       1.518400    
 C    1.012400     -0.6935000      0.8399000    
 C    1.746300      0.4775000       1.014200    
 C    1.494700      -1.740100      4.1200001E-02
 C    2.963500      0.5649000      0.3703000    
 C    2.730600      -1.626000     -0.5997000    
 C    3.442500     -0.4587000     -0.4150000    
 C    4.888600       1.150700     -0.4251000    
 H   -2.936700      -1.565400       1.639200    
 H   -2.752500      4.8300002E-02   2.346600    
 H   -1.687600      -2.166600     -0.4228000    
 H  -0.6502000     -0.9613000      -1.218000    
 H   -1.245200       1.708200       1.275300    
 H  -0.3925000       1.295000     -0.2291000    
 H   -4.136700      -1.836600     -0.4967000    
 H   -4.812400     -0.4500000      -1.308800    
 H   -4.553800       1.812800     -0.3169000    
 H   -3.697100       2.008500       1.188500    
 H   -1.582200      0.9872000      -2.319500    
 H   -3.309200       1.210700      -2.379500    
 H  -0.5184000      -1.890400       1.760600    
 H  -0.3347000     -0.2832000       2.464400    
 H    1.388800       1.290900       1.635800    
 H   0.9203000      -2.654700     -8.2099997E-02
 H    3.112200      -2.430800      -1.217700    
 H    5.815200       1.135400      0.1601000    
 H    5.011600       1.849300      -1.260700    


%chk=000105905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105905

1 1
O 3.984210 1.640519 0.469161
O 4.849462 -0.136565 -0.895155
N -1.492932 -0.333102 0.611580
N -3.970193 0.000232 0.652081
N -2.867485 -0.639616 -1.449223
N -2.549934 1.616013 -0.532583
C -2.849184 -0.477033 1.434344
C -1.701070 -1.139006 -0.741164
C -1.373428 1.201370 0.208773
C -4.102704 -0.800864 -0.611447
C -3.784763 1.449274 0.302712
C -2.686468 0.811133 -1.791914
C -0.300628 -0.844086 1.445370
C 1.050181 -0.690535 0.780850
C 1.814138 0.498851 1.005509
C 1.578205 -1.738597 -0.018383
C 3.064883 0.581570 0.395121
C 2.855217 -1.642160 -0.634021
C 3.576248 -0.466254 -0.410428
C 5.187384 1.190362 -0.296477
H -2.951362 -1.548372 1.679625
H -2.715948 0.114796 2.356402
H -1.825087 -2.197907 -0.455058
H -0.778360 -1.006533 -1.327687
H -1.271800 1.763152 1.153401
H -0.455680 1.296011 -0.392108
H -4.245246 -1.865097 -0.361718
H -4.975294 -0.443029 -1.177860
H -4.659362 1.799703 -0.265221
H -3.691659 2.043991 1.226251
H -1.783977 0.936210 -2.412049
H -3.563730 1.163407 -2.354777
H -0.526414 -1.905094 1.661483
H -0.347024 -0.282937 2.397638
H 1.456954 1.304656 1.654415
H 1.008030 -2.666498 -0.145722
H 3.264816 -2.454470 -1.238277
H 6.031402 1.064644 0.401281
H 5.387405 1.908959 -1.105825


