%chk=000149417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149417

0 1
 O   -5.048200     -0.4364000      0.4281000    
 O   -3.958500      -1.176200      -1.478600    
 N   -4.295100      0.7336000      0.3272000    
 N    1.300700      0.6825000      0.5027000    
 N    1.744200     -0.2306000     -0.2327000    
 C   -2.895400      0.7205000      0.3713000    
 C   -2.224500     -5.4000001E-02   1.325100    
 C   -2.151800       1.482000     -0.5384000    
 C  -9.7000003E-02  0.6947000      0.4592000    
 C  -0.8304000     -6.6799998E-02   1.369000    
 C  -0.7577000       1.469000     -0.4945000    
 C    5.930400     -0.2695000     -0.1057000    
 C    3.148900     -0.2430000     -0.1895000    
 C    5.198100      -1.029900      0.8057000    
 C    5.268800      0.5043000      -1.059200    
 C   -5.056900       1.884600     -0.1251000    
 C    3.803900      -1.016900      0.7636000    
 C    3.874500      0.5177000      -1.101300    
 C    7.421000     -0.2845000     -6.1099999E-02
 C   -4.765100      -1.327800     -0.5708000    
 C   -5.609800      -2.553200     -0.3950000    
 H   -2.780800     -0.6506000       2.044000    
 H   -2.637800       2.087600      -1.298700    
 H  -0.3246000     -0.6721000       2.116700    
 H  -0.1947000       2.064500      -1.208600    
 H    5.702000      -1.635600       1.554200    
 H    5.828300       1.102200      -1.773700    
 H   -6.098500       1.808300      0.2057000    
 H   -5.055400       1.946000      -1.218200    
 H   -4.651600       2.814700      0.2874000    
 H    3.240900      -1.612800       1.477000    
 H    3.366900       1.122900      -1.847600    
 H    7.847900     -0.1273000      -1.057500    
 H    7.784900      0.5043000      0.6047000    
 H    7.795900      -1.248600      0.2990000    
 H   -5.380000      -3.268900      -1.189600    
 H   -5.389100      -3.020500      0.5680000    
 H   -6.667700      -2.287000     -0.4612000    


%chk=000149417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149417

0 1
O -5.189531 0.283765 0.621473
O -4.966094 -1.865460 -0.343487
N -4.334307 0.814528 -0.446912
N 1.241487 0.184551 0.397759
N 2.044198 0.284239 -0.637840
C -2.955475 0.597805 -0.266027
C -2.414685 0.379222 1.036012
C -2.066914 0.679960 -1.385047
C -0.140886 0.333692 0.096989
C -1.029428 0.245358 1.203774
C -0.684700 0.554333 -1.202172
C 6.251426 -0.138327 0.049018
C 3.432291 0.131609 -0.326924
C 5.710348 0.094518 -1.241175
C 5.350528 -0.234656 1.149346
C -5.000098 0.861320 -1.754207
C 4.319223 0.229105 -1.430160
C 3.963405 -0.103530 0.975094
C 7.747493 -0.277799 0.263112
C -5.409960 -1.147861 0.564740
C -6.236985 -1.552489 1.761320
H -3.084117 0.332626 1.898610
H -2.464472 0.826138 -2.393559
H -0.598674 0.077354 2.196476
H 0.002788 0.609731 -2.051881
H 6.384748 0.170810 -2.102222
H 5.755237 -0.415548 2.153445
H -6.063296 1.095007 -1.586575
H -4.913382 -0.088398 -2.316995
H -4.564473 1.688288 -2.341206
H 3.892249 0.409259 -2.422514
H 3.269420 -0.177763 1.817966
H 8.135957 0.528251 0.914727
H 7.995946 -1.237132 0.755067
H 8.299735 -0.233907 -0.691083
H -7.008035 -2.275396 1.449224
H -5.582167 -2.056508 2.495268
H -6.702102 -0.679496 2.242167


