%chk=000178972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178972

0 1
 O   -2.122200       2.830400     -0.3233000    
 O    6.128500     -0.4576000     -0.2856000    
 O   -3.994600      -2.345100     -0.6523000    
 O   0.1302000       1.819200      -1.221100    
 O   -1.870000       2.544400       1.986300    
 O   -3.709900      -2.550000       1.662200    
 N   0.5849000     -0.3023000     -0.3280000    
 C   -1.683200      0.4910000     -0.6220000    
 C    2.000900     -0.3423000     -0.3177000    
 C   -2.570200       1.546100     -0.4085000    
 C  -0.2538000      0.7330000     -0.7610000    
 C   -2.161600     -0.8167000     -0.7044000    
 C   -3.527200      -1.069200     -0.5731000    
 C   -3.935700       1.293500     -0.2773000    
 C    2.642000      -1.473700      0.1570000    
 C    2.711300      0.7512000     -0.7824000    
 C    4.768100     -0.4200000     -0.2972000    
 C   -4.414200     -1.4200000E-02 -0.3595000    
 C    4.036200      -1.512700      0.1674000    
 C    4.105600      0.7119000     -0.7721000    
 C    6.747900      -1.242300      0.7324000    
 C    8.096900     -0.6418000       1.065600    
 C   -1.787400       3.234300      0.9788000    
 C   -4.044200      -3.015600      0.5809000    
 C   -1.308000       4.655500      0.9668000    
 C   -4.570200      -4.407000      0.3882000    
 H   -1.509300      -1.661200     -0.9091000    
 H   0.1560000      -1.130300      7.6499999E-02
 H   -4.632800       2.110400     -0.1112000    
 H    2.081100      -2.332500      0.5152000    
 H    2.274000       1.661500      -1.164100    
 H   -5.479200     -0.2037000     -0.2567000    
 H    4.512200      -2.423200      0.5194000    
 H    4.671800       1.565900      -1.134400    
 H    6.878300      -2.267200      0.3676000    
 H    6.156100      -1.253400       1.656300    
 H    8.732800     -0.6043000      0.1748000    
 H    8.606000      -1.226000       1.837400    
 H    7.983900      0.3885000       1.419100    
 H   -2.102500       5.309900      0.6001000    
 H   -1.046100       4.958800       1.984400    
 H  -0.4183000       4.738900      0.3377000    
 H   -5.580500      -4.365400     -2.6100000E-02
 H   -4.609700      -4.917200       1.354900    
 H   -3.904100      -4.964600     -0.2747000    


%chk=000178972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178972

0 1
O -2.548842 2.989601 -0.075821
O 6.077389 -0.295364 0.043312
O -4.240314 -2.382090 -0.387989
O -0.042842 1.906546 -1.168907
O -1.069849 2.784643 1.736107
O -2.383183 -3.530052 0.499173
N 0.421697 0.011510 0.145629
C -1.897762 0.591726 -0.283189
C 1.845736 -0.036711 0.108949
C -2.873404 1.609795 -0.105459
C -0.432869 0.912442 -0.477494
C -2.333546 -0.755202 -0.371098
C -3.704846 -1.062581 -0.262108
C -4.244166 1.293018 -0.019677
C 2.487111 -1.034627 0.884682
C 2.638272 0.852987 -0.669838
C 4.675522 -0.270590 0.116064
C -4.668760 -0.046661 -0.097751
C 3.891403 -1.158067 0.895451
C 4.037582 0.728170 -0.660662
C 6.787819 -1.313659 0.840508
C 8.278525 -1.123451 0.573794
C -1.531327 3.469377 0.807220
C -3.531683 -3.543287 0.014593
C -1.152504 4.869763 0.409471
C -4.397078 -4.755447 -0.237188
H -1.609521 -1.551106 -0.552953
H -0.023214 -0.668144 0.768471
H -4.963295 2.105845 0.113864
H 1.886302 -1.727075 1.488391
H 2.148688 1.626772 -1.262828
H -5.727433 -0.313140 -0.036680
H 4.352003 -1.939574 1.506071
H 4.660655 1.404155 -1.254266
H 6.450142 -2.325470 0.533505
H 6.550068 -1.173188 1.915540
H 8.501600 -1.255567 -0.498613
H 8.865121 -1.863291 1.148372
H 8.601159 -0.111633 0.872789
H -2.042955 5.459792 0.139408
H -0.593617 5.356498 1.221623
H -0.509971 4.800291 -0.487529
H -5.321885 -4.690914 0.362211
H -3.844225 -5.666981 0.030231
H -4.697906 -4.794162 -1.298177


