%chk=000053077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053077

0 1
 O    3.743600      -1.223400       1.645600    
 N   -3.005300     -0.9656000     -0.1319000    
 C  -0.5314000      0.7026000      0.1258000    
 C   -1.352700      0.1588000       1.357800    
 C   -1.511300      0.7743000      -1.086200    
 C   -2.078000      -1.155700      0.9895000    
 C  -1.1900000E-02   2.140700      0.3771000    
 C   -2.290200     -0.5251000      -1.333800    
 C   0.7323000     -0.1637000     -0.1223000    
 C   -2.360800       1.167900       1.940300    
 C   0.7317000       2.670700     -0.8401000    
 C   -3.750300      -2.195400     -0.3993000    
 C    1.676800     -0.3019000      0.8864000    
 C   0.9028000     -0.7908000      -1.349600    
 C    1.262100       4.072400     -0.5847000    
 C    2.812200      -1.081000      0.6636000    
 C    2.038000      -1.569900      -1.572300    
 C    2.992600      -1.715100     -0.5658000    
 H  -0.6689000     -7.8100003E-02   2.182400    
 H   -1.011300       1.036400      -2.024300    
 H   -2.242600       1.577200     -0.9197000    
 H   0.6287000       2.191900       1.265700    
 H  -0.8499000       2.821500      0.5716000    
 H   -1.342500      -1.937500      0.7585000    
 H   -2.633200      -1.503700       1.870200    
 H   -3.019900     -0.3224000      -2.128500    
 H   -1.654300      -1.332400      -1.706000    
 H   -3.059500       1.548600       1.190300    
 H   -2.953200      0.7000000       2.734900    
 H   -1.846700       2.019400       2.396800    
 H   8.2199998E-02   2.740800      -1.716700    
 H    1.586800       2.044700      -1.111200    
 H   -3.092700      -3.027400     -0.6759000    
 H   -4.470800      -2.040500      -1.210200    
 H   -4.330000      -2.492700      0.4817000    
 H    1.550400      0.1862000       1.848300    
 H   0.2359000     -0.6771000      -2.192500    
 H   0.4469000       4.767300     -0.3584000    
 H    1.963900       4.079800      0.2555000    
 H    1.789200       4.446200      -1.468400    
 H    2.186100      -2.053400      -2.533600    
 H    3.876300      -2.321000     -0.7463000    
 H    3.459200     -0.7183000       2.426600    


%chk=000053077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053077

0 1
O 3.670895 -1.472738 1.691939
N -3.010204 -1.019542 -0.068441
C -0.565059 0.720082 0.049177
C -1.350933 0.219826 1.332131
C -1.575075 0.713380 -1.140764
C -2.029840 -1.142158 1.036172
C -0.041483 2.184222 0.275812
C -2.331963 -0.619601 -1.323214
C 0.673743 -0.185737 -0.201670
C -2.393140 1.220769 1.886803
C 0.847299 2.771645 -0.845261
C -3.823153 -2.237100 -0.237881
C 1.582338 -0.442023 0.861359
C 1.002808 -0.707666 -1.479798
C 1.301315 4.212010 -0.521230
C 2.755285 -1.202772 0.655231
C 2.180353 -1.466032 -1.679649
C 3.067400 -1.727914 -0.618159
H -0.613244 0.039340 2.139610
H -1.074500 0.981225 -2.089393
H -2.324177 1.505267 -0.952100
H 0.527239 2.214576 1.229431
H -0.914437 2.852629 0.410989
H -1.246920 -1.910232 0.803472
H -2.568508 -1.484093 1.940893
H -3.099786 -0.498858 -2.111866
H -1.629061 -1.420857 -1.667690
H -3.185391 1.426049 1.147578
H -2.884594 0.781987 2.775908
H -1.933968 2.173973 2.200752
H 0.292475 2.773641 -1.804381
H 1.734761 2.129197 -0.997609
H -3.219875 -3.139173 -0.517416
H -4.577590 -2.075073 -1.029458
H -4.357489 -2.462837 0.702667
H 1.385332 -0.036976 1.863376
H 0.350850 -0.521851 -2.336834
H 0.432705 4.885070 -0.388483
H 1.892601 4.240302 0.413939
H 1.930442 4.627678 -1.329732
H 2.407870 -1.857281 -2.677726
H 3.981064 -2.314145 -0.750942
H 3.363916 -1.072908 2.543356


