%chk=000096837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096837

0 1
 P  -0.4905000      2.1700000E-02  0.2546000    
 O  -0.8326000      0.6899000       1.567400    
 N  -0.5942000       1.045600      -1.055500    
 N   -1.523400      -1.223700     -0.1428000    
 N    1.057300     -0.6302000      0.2095000    
 C  -0.8177000       2.461200     -0.8135000    
 C   -2.777400      -1.342900      0.5823000    
 C   -1.912400       1.584200      -1.347100    
 C   -1.644200      -2.294300      0.8332000    
 C  -0.2120000       3.491800      -1.689800    
 C   -4.006000      -1.828300     -8.9900002E-02
 C    1.508700      -1.191500      -1.068900    
 C    2.142300      0.1852000      0.7675000    
 C    2.723000      -2.051200     -0.8959000    
 C    1.755100      0.7951000       2.079500    
 C    3.892600      -1.824500      -1.504700    
 C    1.731500       2.112100       2.314100    
 H  -0.8946000       2.800400      0.2108000    
 H   -2.999200     -0.6046000       1.341300    
 H   -2.729600       1.347300     -0.6795000    
 H   -2.169400       1.644400      -2.395800    
 H   -1.092500      -2.197600       1.758700    
 H   -1.696300      -3.293700      0.4234000    
 H  -0.1134000       3.152000      -2.726500    
 H  -0.8247000       4.398800      -1.687000    
 H   0.7860000       3.756400      -1.325700    
 H   -4.675300      -2.297800      0.6379000    
 H   -4.540500     -0.9909000     -0.5497000    
 H   -3.790200      -2.561700     -0.8744000    
 H    1.686400     -0.3947000      -1.801900    
 H   0.7250000      -1.831500      -1.489800    
 H    2.424100      0.9745000      5.8499999E-02
 H    3.036700     -0.4134000      0.9722000    
 H    2.636900      -2.917200     -0.2440000    
 H    1.512800      0.1183000       2.895900    
 H    4.734200      -2.488900      -1.342300    
 H    4.031700     -0.9788000      -2.169000    
 H    1.457600       2.490500       3.292800    
 H    1.978500       2.830900       1.540900    


%chk=000096837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096837

0 1
P -0.551162 -0.020442 0.489926
O -0.890818 0.364726 2.017587
N -1.123195 1.178108 -0.731582
N -1.332003 -1.510350 -0.115028
N 1.122731 -0.360762 0.145905
C -0.816577 2.650620 -0.459496
C -2.831924 -1.654120 0.084662
C -2.229203 2.133042 -0.289585
C -1.873710 -2.462472 0.939788
C -0.388252 3.463199 -1.665406
C -3.600697 -2.252013 -1.075977
C 1.494037 -1.225708 -1.008127
C 2.200840 0.569291 0.577128
C 2.509603 -2.276909 -0.603611
C 1.942516 1.314456 1.869176
C 3.698489 -2.485571 -1.223113
C 2.208278 2.635570 2.029950
H -0.284348 2.864167 0.479414
H -3.328718 -0.825550 0.611210
H -2.603071 2.027970 0.737271
H -2.977986 2.330048 -1.064351
H -1.757314 -2.162683 1.989449
H -1.702920 -3.519747 0.712642
H -0.955863 3.157129 -2.561002
H -0.561157 4.541264 -1.488132
H 0.687099 3.317086 -1.876554
H -4.572280 -2.653141 -0.731800
H -3.792974 -1.488753 -1.851113
H -3.026154 -3.072081 -1.539943
H 1.895825 -0.608326 -1.840473
H 0.568417 -1.715374 -1.361343
H 2.432806 1.297251 -0.234248
H 3.105880 -0.060899 0.705110
H 2.214264 -2.901026 0.252921
H 1.558614 0.719142 2.706155
H 4.380176 -3.283164 -0.907215
H 4.019022 -1.868802 -2.072833
H 2.068666 3.130756 2.996623
H 2.577366 3.256966 1.202818


