%chk=000044631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044631

1 1
 O   -1.121800      0.9041000      -1.779300    
 O    4.157000      -2.373000     -0.1938000    
 N   -2.111600      -1.377500     -0.1568000    
 N    2.790100       2.953400      0.3731000    
 C   -1.029900     -0.3497000      0.2762000    
 C   -3.212700      0.4942000       1.250000    
 C   -3.236400     -0.7110000     -0.9694000    
 C   -1.712200      0.7690000       1.084700    
 C   -3.840800      0.4477000     -0.1594000    
 C   -2.739000      -1.977100       1.121400    
 C   -3.369900     -0.8607000       1.950000    
 C   -1.508600      -2.521900     -0.9657000    
 C  -0.2368000      0.2124000     -0.9028000    
 C   -5.338300      0.3612000     -0.1173000    
 C  -0.4308000      -3.197500     -0.1463000    
 C   0.8559000       1.150100     -0.4516000    
 C   -6.191600       1.262700     -0.6181000    
 C    2.149300      0.6992000     -0.1882000    
 C   0.5221000       2.483200     -0.3079000    
 C    3.102500       1.651700      0.2292000    
 C    2.510100     -0.6517000     -0.3279000    
 C    1.521800       3.340300      0.1052000    
 C    4.396100       1.210800      0.4943000    
 C    3.811200      -1.064900     -5.6000002E-02
 C    4.755000     -0.1322000      0.3555000    
 C    5.509000      -2.722800      0.1008000    
 H  -0.3588000     -0.8591000      0.9748000    
 H   -3.670700       1.284300       1.857000    
 H   -3.978600      -1.499600      -1.154800    
 H   -2.868400     -0.4205000      -1.955000    
 H   -1.628600       1.772800      0.6788000    
 H   -1.243300      0.8229000       2.076700    
 H   -3.591100       1.386300     -0.6704000    
 H   -1.958300      -2.457900       1.716500    
 H   -3.480900      -2.724000      0.8173000    
 H   -4.423500      -1.090400       2.143000    
 H   -2.892900     -0.8260000       2.937900    
 H   -2.314700      -3.226800      -1.201300    
 H   -1.127600      -2.123700      -1.909700    
 H   0.1940000     -0.5674000      -1.529100    
 H   -5.772500     -0.5226000      0.3454000    
 H   0.1131000      -3.885200     -0.8060000    
 H   0.3243000      -2.557300      0.2980000    
 H  -0.8492000      -3.834700      0.6390000    
 H   -1.653800       1.556100      -1.303200    
 H   -7.262400       1.106000     -0.5470000    
 H   -5.839300       2.165800      -1.103800    
 H  -0.4422000       2.917300     -0.5333000    
 H    1.818000      -1.410400     -0.6673000    
 H    1.330200       4.401300      0.2280000    
 H    5.153300       1.922800      0.8181000    
 H    5.786500     -0.3769000      0.5853000    
 H    5.753200      -2.534500       1.151800    
 H    6.209600      -2.230700     -0.5824000    
 H    5.606800      -3.801100     -6.2300000E-02


%chk=000044631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044631

1 1
O -1.099742 0.854837 -2.212209
O 3.911603 -2.383193 0.662284
N -2.148433 -1.252452 -0.428903
N 2.917821 3.116825 0.051011
C -0.993071 -0.255416 -0.050362
C -2.974602 0.434849 1.391096
C -3.408422 -0.479920 -0.912603
C -1.613116 0.883739 0.807521
C -4.003806 0.419751 0.217270
C -2.532931 -1.997833 0.867226
C -2.822437 -0.979335 2.002010
C -1.770615 -2.255254 -1.541798
C -0.159288 0.247769 -1.261740
C -5.397615 -0.017638 0.628409
C -0.646570 -3.243618 -1.205221
C 0.923369 1.225223 -0.795090
C -6.484729 0.790787 0.615265
C 2.159297 0.747641 -0.215117
C 0.738941 2.605141 -0.934751
C 3.127038 1.753271 0.197041
C 2.485300 -0.627714 -0.031915
C 1.758918 3.512859 -0.504443
C 4.364473 1.331968 0.776953
C 3.710478 -1.009538 0.539180
C 4.661938 -0.018438 0.952064
C 5.189519 -2.859969 1.219910
H -0.309357 -0.862379 0.570760
H -3.313678 1.145598 2.162430
H -4.128152 -1.252794 -1.232152
H -3.081357 0.106010 -1.782865
H -1.753461 1.785358 0.186890
H -0.903574 1.143761 1.611019
H -4.069661 1.452240 -0.173046
H -1.702020 -2.672326 1.123376
H -3.415861 -2.609314 0.612473
H -3.736222 -1.275981 2.542519
H -2.000296 -0.978289 2.739019
H -2.699668 -2.810166 -1.763891
H -1.532897 -1.640989 -2.425310
H 0.336964 -0.616727 -1.748752
H -5.517047 -1.063024 0.955180
H -0.399023 -3.799171 -2.126878
H 0.282118 -2.757635 -0.864491
H -0.944683 -3.991019 -0.452062
H -0.593406 1.301951 -2.937632
H -7.470291 0.432805 0.930579
H -6.423631 1.837088 0.289989
H -0.182413 3.006853 -1.368860
H 1.815969 -1.432566 -0.349874
H 1.615466 4.593193 -0.615966
H 5.068750 2.114350 1.074069
H 5.617500 -0.311854 1.394996
H 5.325010 -2.510885 2.260204
H 6.041198 -2.535651 0.594226
H 5.112304 -3.955980 1.202860


