%chk=000064256.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064256

0 1
 O  -0.7180000       1.213900     -0.3828000    
 O   -2.417600       2.753700       1.189000    
 N   -3.916900     -0.2687000     -0.3365000    
 C    1.506600      0.3802000     -0.6345000    
 C    3.861700     -0.5057000     -0.9405000    
 C    2.287100      -1.658000      0.6545000    
 C    3.215800      0.6149000       1.222400    
 C    2.662300      0.1586000      -1.638800    
 C    1.092100     -0.9903000     -4.8200000E-02
 C    2.018300       1.276300      0.5181000    
 C    3.423000      -1.861200     -0.3618000    
 C    4.347000      0.4003000      0.2033000    
 C    2.780400     -0.7462000       1.790200    
 C   0.3153000       1.041300      -1.332800    
 C   -1.867700       1.826500     -0.9574000    
 C   -2.942900       1.963900      0.1182000    
 C   -3.399600      0.6214000      0.6939000    
 C   -4.291300      -1.557800      0.2288000    
 C   -3.081800      -2.219800      0.8831000    
 C   -4.874000      -2.443400     -0.8681000    
 H    4.672300     -0.6566000      -1.662100    
 H    1.980400      -2.626700       1.064600    
 H    3.568300       1.259200       2.035600    
 H    2.325600     -0.4720000      -2.471700    
 H    2.974300       1.116200      -2.075300    
 H   0.2731000     -0.8756000      0.6732000    
 H   0.7192000      -1.646800     -0.8450000    
 H    2.316000       2.259300      0.1307000    
 H    1.225200       1.456100       1.254900    
 H    3.088700      -2.523300      -1.170100    
 H    4.274600      -2.354900      0.1223000    
 H    5.215100     -5.3100001E-02  0.6974000    
 H    4.677900       1.366000     -0.1983000    
 H    1.983500     -0.6058000       2.530900    
 H    3.620600      -1.220000       2.312600    
 H   0.6058000       2.015500      -1.745100    
 H  -4.2300001E-02  0.4106000      -2.156100    
 H   -2.227700       1.239000      -1.809100    
 H   -1.584500       2.824500      -1.312500    
 H   -3.802600       2.503400     -0.2950000    
 H   -2.539800      0.1953000       1.221000    
 H   -4.163600      0.8085000       1.459700    
 H   -1.616700       2.311300       1.519200    
 H   -4.721900      0.1622000     -0.7902000    
 H   -5.072000      -1.419600      0.9878000    
 H   -3.296100      -3.273300       1.098500    
 H   -2.201000      -2.197200      0.2308000    
 H   -2.821100      -1.763800       1.843100    
 H   -5.753300      -1.977000      -1.326300    
 H   -5.188600      -3.410100     -0.4601000    
 H   -4.141300      -2.635700      -1.660100    


%chk=000064256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064256

0 1
O -0.711743 1.061970 -0.424954
O -2.271307 2.821632 0.975164
N -4.287090 -0.184431 -0.107417
C 1.621817 0.308309 -0.568547
C 4.062760 -0.406095 -0.803930
C 2.543507 -1.618835 0.825715
C 3.287749 0.758402 1.311142
C 2.816197 0.136278 -1.555425
C 1.300757 -1.074706 0.071421
C 2.044174 1.299094 0.555608
C 3.724521 -1.782822 -0.169432
C 4.466822 0.592676 0.314393
C 2.947364 -0.619064 1.943529
C 0.410584 0.848734 -1.347692
C -1.933500 1.541009 -1.096843
C -2.913169 1.892027 0.031957
C -3.420950 0.631546 0.773285
C -4.449475 -1.617919 0.266666
C -3.194600 -2.425454 -0.134805
C -5.706314 -2.173620 -0.433581
H 4.899214 -0.521326 -1.521723
H 2.298040 -2.601101 1.276293
H 3.572089 1.473682 2.108254
H 2.534548 -0.562348 -2.370665
H 3.057777 1.111427 -2.027296
H 0.442952 -0.968281 0.762795
H 0.994759 -1.788850 -0.721858
H 2.270066 2.290907 0.111346
H 1.201271 1.439570 1.258609
H 3.456788 -2.511798 -0.961145
H 4.613297 -2.184063 0.358235
H 5.366352 0.221620 0.845529
H 4.730210 1.574380 -0.129142
H 2.117905 -0.508079 2.670525
H 3.823534 -1.007784 2.500669
H 0.668438 1.813683 -1.842627
H 0.105524 0.123265 -2.136031
H -2.362982 0.748328 -1.741559
H -1.697072 2.443366 -1.699953
H -3.772406 2.447671 -0.388180
H -2.544217 0.028210 1.069114
H -3.923184 0.966620 1.709391
H -1.337632 2.492845 1.080170
H -5.204317 0.264250 -0.241329
H -4.593442 -1.726693 1.371348
H -3.282896 -3.475338 0.201985
H -3.076570 -2.410490 -1.233609
H -2.276212 -2.001806 0.310524
H -6.620250 -1.644307 -0.100864
H -5.837260 -3.247185 -0.210481
H -5.614531 -2.053603 -1.529179


