%chk=000048084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048084

0 1
 O   0.6853000     -0.2099000      0.2833000    
 O  -0.2951000      0.1590000      -1.767900    
 O    7.044500      0.4888000     -7.7100001E-02
 N    4.368300     -0.4548000      0.1436000    
 C   -2.579800      -1.163200     -0.1952000    
 C   -1.824900      -2.499000     -0.1632000    
 C   -3.837000      -1.225100      0.6828000    
 C   -1.669700     -1.8500000E-02  0.2460000    
 C   -2.729400      -3.667100     -0.5494000    
 C   -4.738200      -2.395500      0.2954000    
 C   -3.982100      -3.720100      0.3195000    
 C   -2.368800       1.331600      0.1902000    
 C  -0.3745000     -1.4300000E-02 -0.5585000    
 C   -2.066700       2.279600       1.146700    
 C   -3.283800       1.568700     -0.8155000    
 C    3.031600     -0.4342000      0.7339000    
 C    1.975800     -0.2053000     -0.3357000    
 C    5.382000     -0.7748000       1.158200    
 C    4.679000      0.8344000     -0.4894000    
 C    6.769100     -0.7781000      0.5219000    
 C    6.082200      0.7925000      -1.087500    
 C   -2.707300       3.517600       1.095700    
 C   -3.924400       2.806800     -0.8666000    
 C   -3.636100       3.781100      8.9000002E-02
 H   -2.886900      -1.036900      -1.241000    
 H   -1.418700      -2.676100      0.8411000    
 H  -0.9745000      -2.490600     -0.8542000    
 H   -4.437800     -0.3134000      0.6208000    
 H   -3.547300      -1.336200       1.736100    
 H   -1.405100     -0.2061000       1.298000    
 H   -3.019400      -3.572200      -1.603100    
 H   -2.176100      -4.608300     -0.4546000    
 H   -5.590700      -2.447200      0.9821000    
 H   -5.146200      -2.225100     -0.7086000    
 H   -3.699700      -3.960300       1.352000    
 H   -4.638300      -4.526000     -2.7799999E-02
 H   -1.343000       2.084100       1.932200    
 H   -3.515700      0.8582000      -1.599500    
 H    2.941500      0.3314000       1.516300    
 H    2.820300      -1.393300       1.224500    
 H    2.083700      0.7683000     -0.8213000    
 H    2.016200     -0.9985000      -1.092000    
 H    5.354800     -3.5399999E-02   1.969200    
 H    5.188200      -1.762400       1.592000    
 H    4.005800       1.063300      -1.319400    
 H    4.616300       1.648300      0.2446000    
 H    7.530300     -0.9562000       1.288200    
 H    6.866500      -1.568500     -0.2323000    
 H    6.156400      5.5599999E-02  -1.896800    
 H    6.338800       1.770900      -1.506600    
 H   -2.482000       4.276800       1.839000    
 H   -4.641800       3.015700      -1.654900    
 H   -4.133400       4.745800      4.7899999E-02


%chk=000048084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048084

0 1
O 0.741326 -0.324950 0.333578
O -0.324536 -0.442120 -1.732124
O 7.248845 0.648916 -0.281536
N 4.476292 -0.125980 0.116024
C -2.696914 -1.355328 -0.118211
C -2.103861 -2.780864 0.031687
C -4.030890 -1.245143 0.662392
C -1.671999 -0.267364 0.346856
C -3.109405 -3.870129 -0.411344
C -5.040035 -2.330086 0.216628
C -4.446113 -3.750967 0.357814
C -2.225003 1.161545 0.248950
C -0.391255 -0.361764 -0.483001
C -2.425584 1.929696 1.422306
C -2.564360 1.727842 -1.007603
C 3.120490 -0.132200 0.713793
C 2.057888 -0.348167 -0.370257
C 5.537127 -0.535567 1.073256
C 4.832780 1.172160 -0.516772
C 6.886616 -0.634549 0.342843
C 6.192641 1.053582 -1.224280
C -2.965726 3.233892 1.348243
C -3.102852 3.030927 -1.083162
C -3.308523 3.788568 0.094041
H -2.901517 -1.178673 -1.195237
H -1.830632 -2.946717 1.095906
H -1.173254 -2.871480 -0.561486
H -4.470965 -0.239879 0.526460
H -3.825910 -1.361797 1.748627
H -1.397895 -0.466826 1.399464
H -3.303139 -3.763808 -1.498763
H -2.667313 -4.874563 -0.262787
H -5.972228 -2.242411 0.807860
H -5.316010 -2.154900 -0.843996
H -4.269644 -3.967371 1.432264
H -5.167685 -4.507333 -0.007627
H -2.159532 1.503964 2.397493
H -2.389394 1.151481 -1.923404
H 2.892954 0.805720 1.275676
H 3.057587 -0.966484 1.435991
H 2.058257 0.442759 -1.140825
H 2.187898 -1.323139 -0.870426
H 5.634753 0.191454 1.918394
H 5.277239 -1.523560 1.497957
H 4.062076 1.448463 -1.259658
H 4.884239 1.990671 0.245176
H 7.704588 -0.861741 1.046393
H 6.829782 -1.426727 -0.434664
H 6.117775 0.309425 -2.046129
H 6.516477 2.026054 -1.630255
H -3.117330 3.814402 2.265389
H -3.359211 3.457280 -2.059731
H -3.726715 4.799687 0.033912


