%chk=000135320.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135320

0 1
 O  -0.7923000      1.2200000E-02  -1.287100    
 O   -3.439000       2.487100     -0.9289000    
 O   -6.539000     -0.9656000      0.2420000    
 O  -0.8677000      -2.640700     -0.9047000    
 O    5.394400       1.685200     -0.2994000    
 N   -4.606000      0.2922000      0.5428000    
 N    4.514300     -0.4148000      0.2734000    
 C   -3.192100      0.4349000      0.3196000    
 C   -5.250800       1.373900       1.298900    
 C   -2.867000       1.179400     -0.9741000    
 C   -1.369000       1.314900      -1.227200    
 C   -6.310200       2.063200      0.4480000    
 C   -5.847400      0.8334000       2.592000    
 C   -5.326900     -0.8154000      6.6399999E-02
 C   0.5085000     -0.1072000     -0.8977000    
 C   -4.558600      -1.864400     -0.6976000    
 C   0.9806000      -1.291600     -0.3325000    
 C    1.371500      0.9747000      -1.072300    
 C    3.159500     -0.3109000     -0.1220000    
 C    2.315700      -1.394300      5.8300000E-02
 C    2.706700      0.8720000     -0.6817000    
 C   9.6400000E-02  -2.433200     -0.1429000    
 C    6.828100      3.3500001E-02  0.7159000    
 C    5.504800      0.5583000      0.1720000    
 C    7.971700       1.042700      0.6414000    
 C   0.3363000      -3.406600       1.004700    
 C    9.277300      0.4872000       1.192800    
 H   -2.756000      0.9611000       1.178200    
 H   -2.717700     -0.5502000      0.3141000    
 H   -4.495200       2.123000       1.564500    
 H   -3.327200      0.6566000      -1.819400    
 H  -0.9439000       1.923300     -0.4171000    
 H   -1.195900       1.837500      -2.175800    
 H   -7.181200       1.426300      0.2655000    
 H   -6.674200       2.963300      0.9557000    
 H   -5.920200       2.366600     -0.5274000    
 H   -5.091800      0.2927000       3.172700    
 H   -6.687300      0.1532000       2.424700    
 H   -6.217800       1.657100       3.212200    
 H   -3.252600       2.919100      -1.779900    
 H   -3.873400      -2.390200     -2.7600000E-02
 H   -4.014800      -1.431900      -1.538300    
 H   -5.262200      -2.599000      -1.102600    
 H    1.055200       1.904300      -1.536200    
 H    2.705800      -2.313500      0.4872000    
 H    3.311900       1.749500     -0.8548000    
 H    4.778400      -1.309600      0.6802000    
 H    7.094800     -0.8661000      0.1477000    
 H    6.670400     -0.2659000       1.759300    
 H    7.702200       1.947300       1.199600    
 H    8.124500       1.351000     -0.3999000    
 H   0.7494000      -2.888600       1.874400    
 H    1.011200      -4.201000      0.6772000    
 H  -0.6208000      -3.842500       1.307400    
 H    9.594200     -0.3968000      0.6303000    
 H    10.06960       1.238800       1.121500    
 H    9.168400      0.2050000       2.244800    


%chk=000135320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135320

0 1
O -0.833432 0.210645 -0.511078
O -3.567489 2.647574 -1.012307
O -6.564378 -1.226343 0.395723
O -1.040456 -2.141933 0.824813
O 5.662037 1.623779 -0.546103
N -4.890303 0.393176 0.523270
N 4.757796 -0.444556 0.095241
C -3.459924 0.752889 0.527496
C -5.876903 1.489128 0.827557
C -2.954700 1.317993 -0.815025
C -1.427652 1.523089 -0.814089
C -6.911772 1.678852 -0.304369
C -6.549653 1.269312 2.203834
C -5.329821 -0.916276 0.325363
C 0.542723 0.114621 -0.331489
C -4.278973 -1.984840 0.017405
C 1.064890 -1.141826 0.128443
C 1.431307 1.180316 -0.619222
C 3.360467 -0.210309 -0.059827
C 2.473568 -1.272312 0.233354
C 2.823467 1.033705 -0.484372
C 0.184070 -2.287997 0.540430
C 7.209754 -0.172209 0.086834
C 5.820499 0.430532 -0.148463
C 8.135770 0.791386 0.869200
C 0.813623 -3.681483 0.645165
C 9.583569 0.266870 0.955188
H -3.285659 1.521318 1.306337
H -2.836174 -0.120412 0.778626
H -5.265725 2.408115 0.870369
H -3.238896 0.622840 -1.631212
H -1.149295 2.262100 -0.036231
H -1.081968 1.887756 -1.803366
H -7.546820 0.784705 -0.402251
H -7.550966 2.552092 -0.075666
H -6.400995 1.868139 -1.265525
H -5.792428 1.171026 3.003774
H -7.166223 0.356336 2.185790
H -7.197444 2.132293 2.446684
H -3.663251 2.839048 -1.977951
H -3.638769 -2.208324 0.889467
H -3.597881 -1.699302 -0.803803
H -4.823150 -2.898904 -0.263306
H 1.042390 2.143214 -0.961554
H 2.886775 -2.227762 0.576694
H 3.501726 1.859620 -0.706065
H 5.015608 -1.378708 0.421370
H 7.660803 -0.365304 -0.907805
H 7.147637 -1.149739 0.606091
H 7.728614 0.946811 1.887350
H 8.109915 1.774739 0.365836
H 1.468957 -3.753159 1.534648
H 1.417666 -3.934113 -0.244275
H 0.002731 -4.416560 0.761275
H 10.021380 0.141578 -0.053168
H 10.225776 0.969999 1.515470
H 9.631183 -0.712724 1.467727


