%chk=000125815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125815

0 1
 O   0.5462000     -0.4162000     -0.2031000    
 O   0.5173000     -0.1961000       2.115700    
 O    5.260800     -0.3328000      6.9600001E-02
 N    3.056500      0.2425000     -0.4125000    
 C    2.568200      0.3144000      0.9405000    
 C   -1.807800      0.1243000     -0.2389000    
 C   -3.146600     -0.3307000     -0.1795000    
 C  -0.7612000     -0.8082000     -0.1515000    
 C    1.111500     -0.1175000       1.044900    
 C    2.741000       1.721600       1.490500    
 C   -1.555100       1.498100     -0.3839000    
 C   -3.399400      -1.704600     -3.4800000E-02
 C   -1.030700      -2.169700     -7.4000000E-03
 C   -4.193200      0.6016000     -0.2671000    
 C   -2.347300      -2.617000      5.0600000E-02
 C   -2.607300       2.410300     -0.4691000    
 C   -3.923900       1.962900     -0.4107000    
 C    4.367600     -7.6499999E-02 -0.7335000    
 C    4.603500     -0.1063000      -2.219800    
 H    3.150100     -0.3917000       1.544800    
 H    2.401800       1.784000       2.529900    
 H    3.790600       2.033300       1.456900    
 H    2.159400       2.446300      0.9090000    
 H  -0.5394000       1.883500     -0.4371000    
 H   -4.420700      -2.076700      1.2900000E-02
 H  -0.2174000      -2.887500      5.9200000E-02
 H    2.404200      0.4470000      -1.164500    
 H   -5.230000      0.2743000     -0.2240000    
 H   -2.556600      -3.676900      0.1623000    
 H   -2.398400       3.470200     -0.5820000    
 H   -4.742500       2.673600     -0.4774000    
 H    5.676200     -0.1716000      -2.421700    
 H    4.102200     -0.9770000      -2.651300    
 H    4.214700      0.8051000      -2.683000    


%chk=000125815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125815

0 1
O 0.505152 -0.378329 0.224144
O 1.079030 -1.225885 2.346688
O 5.282872 0.153748 -0.232608
N 2.972020 0.206220 -0.426280
C 2.769843 -0.037186 1.009270
C -1.821604 0.160021 -0.205558
C -3.208144 -0.256105 -0.284632
C -0.863391 -0.807824 0.245627
C 1.397029 -0.640473 1.298630
C 2.951977 1.251463 1.863892
C -1.467354 1.499376 -0.573017
C -3.566433 -1.592275 0.093590
C -1.220682 -2.104110 0.609110
C -4.185905 0.690549 -0.737612
C -2.594027 -2.492161 0.532716
C -2.446655 2.395819 -1.007340
C -3.816178 1.989146 -1.092894
C 4.248309 0.279333 -0.959334
C 4.324775 0.517803 -2.463933
H 3.532898 -0.765295 1.342654
H 2.824503 1.021824 2.935560
H 3.971879 1.634778 1.698914
H 2.220246 2.024856 1.571148
H -0.420483 1.809295 -0.504124
H -4.617444 -1.896907 0.034393
H -0.466127 -2.812878 0.956978
H 2.140996 0.289734 -1.014084
H -5.234419 0.375936 -0.797742
H -2.872678 -3.510121 0.823373
H -2.168922 3.418757 -1.283723
H -4.572510 2.703119 -1.436280
H 4.880290 1.452398 -2.654114
H 4.898865 -0.302238 -2.928427
H 3.336573 0.583614 -2.950985


