%chk=000165194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165194

0 1
 O    2.692100     -0.4226000       2.166300    
 O   -2.000900      -2.805400      -1.482700    
 O   0.2634000     -0.1290000       3.256100    
 O    1.501700       2.242600       1.577100    
 O   -1.820700       1.544100       2.032500    
 O    3.080900      0.6595000      -2.591600    
 O   -3.600000       2.679500      0.4887000    
 N    4.139500      -1.171300     -0.3509000    
 N    2.446200       3.948000      -1.349700    
 C    1.671900      -1.281100      0.1178000    
 C  -0.8350000      -1.693100      0.3391000    
 C   0.3206000      -1.443700     -0.6446000    
 C    1.635000     -0.1986000       1.234800    
 C   -2.214200      -2.041600     -0.2922000    
 C    2.794900      -1.011200     -0.9008000    
 C  -0.8973000     -0.4884000       1.224800    
 C   0.3262000     -0.2758000       2.039100    
 C    1.812200       1.209400      0.6998000    
 C   -3.051400     -0.8061000     -0.6131000    
 C   -1.854500      0.4494000       1.192200    
 C    2.716300      0.4040000      -1.442900    
 C   -2.899900      0.3783000      0.1460000    
 C   -3.033600      -2.921700      0.6739000    
 C    2.257100       1.501500     -0.5353000    
 C   -4.032200     -0.8595000      -1.622400    
 C   -3.712800       1.483900     -0.1622000    
 C    5.146800     -0.9660000      -1.391700    
 C    4.292100      -2.495300      0.2525000    
 C   -4.834100      0.2442000      -1.901700    
 C   -4.671800       1.415800      -1.174400    
 C    2.361500       2.850200     -0.9843000    
 H    1.824000      -2.254900      0.5985000    
 H  -0.5380000      -2.559600      0.9486000    
 H   0.4183000      -2.294700      -1.329700    
 H   0.1092000     -0.5630000      -1.264400    
 H    2.652200      -1.694100      -1.751100    
 H   -3.984000      -3.228300      0.2204000    
 H   -2.497400      -3.849000      0.9072000    
 H   -3.257200      -2.407700       1.615000    
 H    2.708300      0.3084000       2.807200    
 H   -1.540200      -3.625100      -1.234200    
 H   -4.186800      -1.769500      -2.197100    
 H    5.242000      8.6400002E-02  -1.675400    
 H    4.960400      -1.571600      -2.286300    
 H    6.142400      -1.235300      -1.017200    
 H    5.340000      -2.671400      0.5260000    
 H    3.991400      -3.300900     -0.4274000    
 H    3.747500      -2.596100       1.194900    
 H    1.343800       1.866500       2.458600    
 H   -1.102600       1.444100       2.678000    
 H   -5.583900      0.1877000      -2.685100    
 H   -5.299700       2.271700      -1.408600    
 H   -4.244300       3.312100      0.1278000    


%chk=000165194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165194

0 1
O 2.361708 -0.768552 2.245283
O -2.070478 -2.658577 -1.652837
O 0.239808 1.268563 2.507092
O 2.431002 2.145570 1.640725
O -2.186241 1.484191 2.144585
O 2.969792 0.508044 -2.845607
O -4.401158 2.334153 1.042782
N 4.166233 -1.322990 -0.260525
N 3.613978 3.823883 -1.343474
C 1.644174 -1.202357 -0.037670
C -0.828224 -1.474885 0.168772
C 0.316351 -1.229325 -0.843324
C 1.674034 -0.135073 1.094291
C -2.222636 -1.928957 -0.379572
C 2.878174 -1.086061 -0.972692
C -0.929132 -0.260501 1.070850
C 0.263689 0.286454 1.601834
C 2.372488 1.174253 0.675835
C -3.192376 -0.775260 -0.639514
C -2.136603 0.486801 1.233672
C 2.893587 0.322176 -1.598853
C -3.245754 0.319011 0.290257
C -2.889960 -2.872644 0.662765
C 2.835625 1.423564 -0.608634
C -4.114934 -0.871744 -1.695528
C -4.305330 1.276411 0.143205
C 5.340170 -1.013567 -1.113061
C 4.266795 -2.675856 0.331321
C -5.130093 0.101148 -1.839330
C -5.237022 1.157084 -0.917664
C 3.256746 2.736976 -0.995133
H 1.704422 -2.170107 0.494425
H -0.486203 -2.323519 0.803240
H 0.360709 -2.048227 -1.583255
H 0.147127 -0.294159 -1.408571
H 2.742540 -1.805942 -1.820156
H -3.888320 -3.185013 0.312719
H -2.264379 -3.774164 0.817314
H -3.002701 -2.371408 1.640170
H 2.763160 -0.062314 2.815609
H -1.725668 -3.565955 -1.457526
H -4.026819 -1.708060 -2.391258
H 5.345322 0.054056 -1.391116
H 5.370846 -1.610730 -2.056714
H 6.260432 -1.216356 -0.539151
H 5.272996 -2.792191 0.769988
H 4.120417 -3.496613 -0.415441
H 3.540078 -2.793182 1.150693
H 1.621998 2.003109 2.282847
H -1.219776 1.573808 2.572823
H -5.846944 0.027795 -2.663737
H -6.037563 1.901275 -1.019206
H -5.140685 2.941664 0.782354


