%chk=000121508.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121508

0 1
 O   0.9046000     -0.6735000      0.2417000    
 O   -1.189700     -0.5305000       1.904900    
 O  -0.5431000      -2.110500     -0.8199000    
 N    4.515300      -1.409300     -0.2539000    
 C    3.293100     -0.7063000      0.2001000    
 C    3.295400      0.7512000     -0.3036000    
 C    4.552000       1.498700      0.1233000    
 C    5.791200      0.7226000     -0.2945000    
 C    5.730700     -0.7171000      0.2100000    
 C    2.004800      -1.380200     -0.2934000    
 C    4.558000      -2.805400      0.1906000    
 C   -1.445500     -0.2650000      0.5106000    
 C  -0.3467000      -1.140400     -9.7599998E-02
 C   -2.865200     -0.7014000      0.1403000    
 C   -1.240200       1.224200      0.2244000    
 C   -3.279700     -0.5562000      -1.163400    
 C   -1.525000       2.131400       1.218800    
 C   -3.672100      -1.221500       1.125600    
 C  -0.7790000       1.599000      -1.016500    
 C   -4.573700     -0.9533000      -1.500800    
 C   -1.338400       3.489000      0.9578000    
 C   -4.965900      -1.618800      0.7884000    
 C  -0.5922000       2.956400      -1.277500    
 C   -5.416700      -1.484600     -0.5248000    
 C  -0.8719000       3.901400     -0.2903000    
 H    3.268400     -0.6789000       1.299300    
 H    2.425900       1.296400      8.2000002E-02
 H    3.220300      0.7698000      -1.399200    
 H    4.549000       1.632000       1.212000    
 H    4.565500       2.498600     -0.3242000    
 H    5.877300      0.7272000      -1.388500    
 H    6.687100       1.216100      9.8800004E-02
 H    6.620400      -1.238900     -0.1640000    
 H    5.786400     -0.7260000       1.306800    
 H    1.940300      -2.413700      6.1000001E-02
 H    1.958200      -1.375100      -1.389500    
 H    4.434600      -2.896900       1.275500    
 H    5.512800      -3.270000     -8.2999997E-02
 H    3.792100      -3.407300     -0.3073000    
 H  -0.3696000     -7.5199999E-02   2.164000    
 H   -2.640100     -0.1697000      -1.947800    
 H   -1.902900       1.833400       2.191600    
 H   -3.357900      -1.339500       2.156900    
 H  -0.5501000      0.8840000      -1.800000    
 H   -4.923100     -0.8543000      -2.524300    
 H   -1.559300       4.225200       1.725200    
 H   -5.622900      -2.032500       1.547900    
 H  -0.2277000       3.277700      -2.248900    
 H   -6.423700      -1.795200     -0.7877000    
 H  -0.7268000       4.958300     -0.4938000    


%chk=000121508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121508

0 1
O 1.008251 -0.414946 0.096967
O -0.870908 0.336339 1.700118
O -0.394557 -1.005481 -1.662284
N 4.575563 -1.524705 -0.361591
C 3.396922 -0.860027 0.272237
C 3.674704 0.651976 0.465561
C 4.956326 0.902678 1.285473
C 6.144083 0.173730 0.624156
C 5.813143 -1.318079 0.443333
C 2.154351 -1.060530 -0.611714
C 4.373517 -2.969685 -0.627799
C -1.307611 0.260439 0.302483
C -0.228791 -0.473695 -0.545992
C -2.625524 -0.544349 0.281140
C -1.504438 1.693944 -0.265859
C -3.410802 -0.608569 -0.895747
C -1.955157 2.695609 0.630554
C -3.048224 -1.238134 1.439690
C -1.292107 2.026736 -1.626388
C -4.604461 -1.361450 -0.912652
C -2.187681 4.009999 0.173987
C -4.248002 -1.985407 1.421837
C -1.521203 3.346607 -2.079788
C -5.029179 -2.052191 0.246339
C -1.970065 4.342227 -1.184131
H 3.184088 -1.316415 1.277099
H 2.799991 1.119075 0.952896
H 3.782914 1.112177 -0.537017
H 4.819601 0.524131 2.319674
H 5.153806 1.988228 1.363348
H 6.350278 0.619467 -0.367858
H 7.060980 0.273237 1.236099
H 6.642423 -1.828747 -0.080550
H 5.716062 -1.794546 1.455712
H 1.884700 -2.118745 -0.759724
H 2.283686 -0.579261 -1.597816
H 4.057632 -3.545232 0.278760
H 5.324099 -3.400096 -0.988007
H 3.624124 -3.130689 -1.420960
H 0.111766 0.477538 1.697651
H -3.094529 -0.074751 -1.796718
H -2.111729 2.429675 1.680302
H -2.436890 -1.175726 2.343175
H -0.949313 1.265893 -2.336405
H -5.203508 -1.406843 -1.829071
H -2.538818 4.774701 0.876168
H -4.570073 -2.514894 2.325844
H -1.348740 3.593505 -3.133493
H -5.958445 -2.633174 0.232346
H -2.147954 5.363852 -1.538284


