%chk=000129876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129876

0 1
 O    2.023800     -9.5200002E-02  -1.128200    
 O    2.774000       2.641900      0.3681000    
 O    4.006700      0.6566000       1.772300    
 O    3.897500      -2.151100      -1.617000    
 O   -4.612900      0.2460000      8.6800002E-02
 O   -3.640300      -1.941800      0.5942000    
 N  -0.1139000      0.6138000     -0.3785000    
 N  -0.3907000     -0.6464000      1.5000000E-03
 N   -3.953200       2.324600     -0.5768000    
 N   -1.616800      -2.978200      0.7586000    
 C    1.984700       1.492800      0.6709000    
 C    2.858300      0.3056000       1.030400    
 C    1.275000       1.020000     -0.5991000    
 C    3.209800     -0.2613000     -0.3341000    
 C    3.602800      -1.727300     -0.2974000    
 C   -1.221700       1.399600     -0.5192000    
 C   -2.294000      0.5988000     -0.2101000    
 C   -1.722600     -0.6492000      0.1026000    
 C   -3.667300       1.003600     -0.2219000    
 C   -2.399200      -1.853000      0.4968000    
 H    1.310200       1.771000       1.487100    
 H    2.265200     -0.4153000       1.606800    
 H    1.252200       1.794500      -1.374800    
 H    4.009700      0.3172000     -0.8144000    
 H    2.787000      -2.353200      7.9099998E-02
 H    4.488700      -1.890000      0.3229000    
 H    2.163300       3.352700      0.1081000    
 H    4.523300     -0.1535000       1.919200    
 H   -1.136800       2.435300     -0.8192000    
 H    3.103800      -1.999600      -2.158300    
 H   -3.243900       3.002900     -0.8320000    
 H   -4.913000       2.654300     -0.5903000    
 H  -0.6045000      -2.960100      0.6848000    
 H   -2.042700      -3.857100       1.033200    


%chk=000129876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129876

0 1
O 2.256186 1.021330 -1.031276
O 3.085738 2.337564 1.618401
O 4.096323 -0.042676 1.887552
O 3.082283 -1.220610 -2.628682
O -3.600029 2.367324 -1.611298
O -3.469843 -1.880413 0.350457
N 0.050318 1.094749 -0.028315
N -0.259466 -0.163288 0.465701
N -4.486926 0.314132 -0.940971
N -1.431775 -2.476149 1.278839
C 2.136810 1.266259 1.363557
C 2.882107 -0.068374 1.065251
C 1.433139 1.601419 0.031932
C 3.156895 -0.033830 -0.461212
C 2.848384 -1.346344 -1.193037
C -1.036669 1.700086 -0.618876
C -2.126810 0.822253 -0.510461
C -1.593385 -0.330533 0.175001
C -3.468120 1.223256 -1.062647
C -2.247236 -1.606015 0.597212
H 1.421562 1.163298 2.199938
H 2.237892 -0.925970 1.334816
H 1.395363 2.690548 -0.127304
H 4.190657 0.299722 -0.668685
H 1.801342 -1.647559 -0.975336
H 3.532904 -2.146723 -0.856549
H 3.895349 1.919241 2.021863
H 4.640695 -0.854016 1.745677
H -1.008253 2.685799 -1.075994
H 2.549170 -0.448713 -2.952412
H -4.326967 -0.605787 -0.485765
H -5.398759 0.577710 -1.313737
H -0.462083 -2.222172 1.466270
H -1.814297 -3.366617 1.592191


