%chk=000044378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044378

0 1
 O    4.422600      -1.882600     -2.4000000E-02
 O    6.874300      -1.192100     -0.3312000    
 O    6.291400       1.017300     -0.3267000    
 N    3.668500      0.3556000     -2.7999999E-03
 N   -1.858000     -0.1243000      0.6495000    
 N   -2.415700     -0.2006000     -0.4698000    
 C    1.483200       1.391000      0.2175000    
 C    2.285000      0.2511000      0.1619000    
 C   0.1034000       1.266100      0.3793000    
 C  -0.4679000      1.6000000E-03  0.4845000    
 C    1.706900      -1.013900      0.2680000    
 C   0.3270000      -1.139000      0.4296000    
 C    2.075400       2.758700      0.1052000    
 C   -4.617900      0.8024000     -0.2468000    
 C   -3.800500     -0.3264000     -0.3048000    
 C   -5.995500      0.6580000     -8.2099997E-02
 C   -4.360600      -1.599400     -0.1984000    
 C   -4.041600       2.175900     -0.3583000    
 C   -6.555700     -0.6150000      2.4300000E-02
 C   -5.738200      -1.743800     -3.3799998E-02
 C    4.599000     -0.6765000     -8.0200002E-02
 C    6.014800     -0.1640000     -0.2610000    
 H  -0.5292000       2.149400      0.4246000    
 H    2.258500      -1.942900      0.2347000    
 H  -0.1164000      -2.127800      0.5127000    
 H    2.787100       2.938300      0.9180000    
 H    2.580300       2.881900     -0.8586000    
 H    1.309300       3.539300      0.1697000    
 H    4.042900       1.297800     -7.5499997E-02
 H   -6.646500       1.526900     -3.3500001E-02
 H   -3.732800      -2.485600     -0.2432000    
 H   -3.450900       2.414200      0.5321000    
 H   -3.405700       2.258600      -1.246200    
 H   -4.823000       2.937900     -0.4527000    
 H   -7.628200     -0.7276000      0.1528000    
 H   -6.174500      -2.734900      4.8900001E-02
 H    7.801400     -0.8934000     -0.4477000    


%chk=000044378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044378

0 1
O 4.792903 -1.928481 0.161655
O 7.288424 -0.732499 0.079717
O 6.270736 1.352987 -0.075527
N 3.812843 0.230066 -0.000087
N -1.766956 -0.767343 0.063005
N -2.571846 0.265987 -0.009727
C 1.538364 1.105862 -0.070648
C 2.421072 -0.027268 0.015758
C 0.154170 0.877091 -0.055846
C -0.377423 -0.441622 0.041590
C 1.901232 -1.346905 0.112909
C 0.510757 -1.544333 0.124826
C 2.087883 2.518971 -0.176151
C -4.863359 1.057176 -0.062211
C -3.966002 -0.057112 0.010281
C -6.254384 0.790633 -0.046105
C -4.467649 -1.388352 0.095494
C -4.349356 2.481205 -0.154279
C -6.751539 -0.529291 0.038229
C -5.852598 -1.623178 0.109192
C 4.863783 -0.673645 0.069518
C 6.196812 0.100131 0.016119
H -0.549322 1.713275 -0.119493
H 2.590385 -2.190572 0.177061
H 0.085901 -2.550236 0.198677
H 2.707295 2.794148 0.700625
H 2.708376 2.660147 -1.083392
H 1.264560 3.248742 -0.231381
H 4.115624 1.210385 -0.070913
H -6.955605 1.631526 -0.100540
H -3.745838 -2.209090 0.148928
H -3.705781 2.730396 0.707724
H -3.729821 2.624402 -1.057412
H -5.188259 3.197556 -0.186659
H -7.833152 -0.705154 0.048541
H -6.237443 -2.646858 0.174416
H 8.127412 -0.196549 0.042106


