%chk=000104297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104297

0 1
 O    1.655000      -2.452100       1.531900    
 O  -0.7668000      -1.654500       2.075400    
 O   -1.840200      -2.646600      -2.488300    
 O   -1.032900      -3.200200     -0.4369000    
 O   -5.511400       2.529400     -0.2040000    
 O   -4.076400       2.997400       1.495600    
 N    4.449900      0.9479000     -0.4027000    
 C    3.172400      0.4839000     -2.5800001E-02
 C    4.604200       2.247200      -1.026100    
 C    5.626500      0.1375000     -0.1587000    
 C   0.6786000     -0.4223000      0.7104000    
 C    3.033800     -0.7679000      0.5738000    
 C    2.047600       1.276900     -0.2527000    
 C    1.770500      -1.226700      0.9468000    
 C   0.7841000      0.8180000      0.1201000    
 C  -0.6824000     -0.8938000       1.101700    
 C    4.294500       2.183400      -2.512100    
 C    6.103500      0.2804000       1.276700    
 C   -1.883500     -0.4902000      0.3819000    
 C   -2.363200      -1.229100     -0.6997000    
 C   -2.556400      0.6601000      0.7938000    
 C   -3.709000       1.071400      0.1245000    
 C   -3.515600     -0.8176000      -1.369100    
 C   -4.188600      0.3326000     -0.9569000    
 C   -1.683400      -2.435400      -1.153800    
 C   -4.410900       2.270300      0.5544000    
 H    4.020200       3.027300     -0.5247000    
 H    5.643700       2.584200     -0.9172000    
 H    5.481900     -0.9128000     -0.4354000    
 H    6.441600      0.4718000     -0.8145000    
 H    3.876600      -1.421300      0.7711000    
 H    2.086800       2.258600     -0.7112000    
 H  -6.6600002E-02   1.463900     -6.4499997E-02
 H    4.951000       1.464900      -3.015100    
 H    3.263100       1.883000      -2.715900    
 H    4.454900       3.163800      -2.972000    
 H    6.333000       1.326400       1.508000    
 H    5.360900     -6.0600001E-02   2.003200    
 H    7.015600     -0.3053000       1.429900    
 H   -2.179200       1.229900       1.640300    
 H   -3.922600      -1.378500      -2.206400    
 H   -5.083600      0.6153000      -1.504100    
 H    2.536300      -2.855800       1.608400    
 H   -1.380200      -3.460400      -2.785700    
 H   -5.977100       3.339900      9.3599997E-02


%chk=000104297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104297

0 1
O 1.657435 -2.327311 1.906026
O -0.881571 -2.669702 0.814830
O -3.512727 -3.116797 -2.468196
O -1.227264 -2.755595 -2.273459
O -5.039596 2.849212 0.762737
O -3.014759 2.875302 1.899105
N 4.493334 1.033785 -0.243165
C 3.251929 0.419940 -0.088121
C 4.671672 2.212173 -1.119223
C 5.700644 0.539898 0.451217
C 0.664835 -0.869503 0.237163
C 3.063178 -0.657671 0.832439
C 2.106055 0.843792 -0.843503
C 1.813069 -1.291195 0.982591
C 0.871067 0.215954 -0.664500
C -0.655120 -1.525326 0.317191
C 4.945082 1.845426 -2.596414
C 5.879603 1.125975 1.871607
C -1.875748 -0.734355 -0.163603
C -2.790422 -1.259436 -1.124304
C -2.226612 0.445422 0.528021
C -3.470078 1.085838 0.296116
C -4.038061 -0.624024 -1.346943
C -4.385030 0.542014 -0.639553
C -2.395634 -2.424812 -1.971404
C -3.772622 2.323885 1.065376
H 3.784531 2.866512 -1.042162
H 5.520394 2.799824 -0.721534
H 5.678220 -0.565008 0.489273
H 6.577186 0.805189 -0.169187
H 3.893677 -1.000664 1.459675
H 2.188700 1.642385 -1.583837
H 0.022758 0.550409 -1.270770
H 5.861230 1.234173 -2.686974
H 4.108694 1.265286 -3.022866
H 5.081100 2.759483 -3.203605
H 5.956938 2.227433 1.833917
H 5.023389 0.871576 2.520061
H 6.801181 0.732884 2.339463
H -1.546075 0.873264 1.271639
H -4.722548 -1.052244 -2.083981
H -5.345492 1.036555 -0.805270
H 2.516080 -2.512629 2.365950
H -3.192285 -3.870539 -3.033209
H -5.184136 3.667520 1.309386


