%chk=000040693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040693

0 1
 O  -0.1053000      0.5351000     -6.2700003E-02
 O   0.1673000       3.267200      0.3761000    
 O   -2.779200       1.350900     -0.6679000    
 O   -3.511500      0.7849000       1.439800    
 N    3.302500       1.298000      0.4275000    
 C    1.428700      -1.819600     -0.4830000    
 C  -4.3000001E-02  -1.849200     -0.2315000    
 C  -0.7576000     -0.6683000     -2.9899999E-02
 C   -2.132100     -0.7162000      0.2034000    
 C  -0.7028000      -3.077700     -0.1997000    
 C    1.115400       2.349700      0.9286000    
 C   -2.791800      -1.944700      0.2354000    
 C   0.4148000       1.015000       1.173300    
 C    1.799200      -2.385300      -1.866300    
 C    2.226400      -2.550100      0.6127000    
 C   -2.077100      -3.125500      3.4000002E-02
 C    2.298200       2.245300     -3.7099998E-02
 C   -4.262900      -2.027600      0.4837000    
 C   -2.876000      0.5212000      0.4136000    
 C    4.388400       1.175700     -0.5355000    
 C   -3.468600       2.602700     -0.5816000    
 C   -3.246100       3.377500      -1.863000    
 C    5.393600      0.2140000     -7.2200000E-02
 C    6.219600     -0.5728000      0.3022000    
 H    1.791300     -0.7893000     -0.4924000    
 H    1.457800       2.762900       1.884800    
 H  -0.1679000      -4.010900     -0.3536000    
 H  -0.4196000       1.170100       1.868100    
 H    1.097400      0.2844000       1.620400    
 H    1.568200      -3.452700      -1.949400    
 H    2.871000      -2.261600      -2.056500    
 H    1.254800      -1.860800      -2.659600    
 H    2.009500      -3.623400      0.6324000    
 H    1.993800      -2.142400       1.602500    
 H    3.302600      -2.432900      0.4462000    
 H   -2.575200      -4.091200      5.7200000E-02
 H    1.928000       1.957100      -1.029800    
 H    2.739600       3.243000     -0.1594000    
 H   -4.647400      -3.036800      0.2987000    
 H   -4.811300      -1.354800     -0.1841000    
 H   -4.489800      -1.774300       1.524200    
 H    3.668900       1.609700       1.327000    
 H  -0.5671000       3.346000       1.008700    
 H    3.996900      0.8366000      -1.502000    
 H    4.868100       2.148700     -0.6949000    
 H   -4.539300       2.419000     -0.4394000    
 H   -3.081200       3.173100      0.2697000    
 H   -2.177400       3.551100      -2.026600    
 H   -3.611500       2.809700      -2.724900    
 H   -3.760100       4.342000      -1.831200    
 H    6.951600      -1.271200      0.6345000    


%chk=000040693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040693

0 1
O 0.391135 0.576773 0.137574
O 0.483067 3.301038 1.378953
O -3.431339 1.272469 -0.882399
O -1.926854 1.963438 0.727475
N 3.668711 1.461609 0.587330
C 1.673700 -2.024914 -0.119300
C 0.153775 -1.839957 -0.114145
C -0.440123 -0.555987 0.012688
C -1.855345 -0.360192 -0.086818
C -0.720431 -2.940574 -0.275537
C 1.493101 2.252387 1.513010
C -2.717523 -1.489349 -0.258912
C 0.885125 0.847965 1.518393
C 2.155711 -2.604633 -1.476750
C 2.149480 -2.916593 1.058064
C -2.117838 -2.770467 -0.328397
C 2.551565 2.416771 0.397011
C -4.231887 -1.391275 -0.342700
C -2.371965 1.041422 -0.008148
C 4.492418 1.227779 -0.623395
C -3.994664 2.661637 -0.877844
C -5.146444 2.670467 -1.877060
C 5.544407 0.218659 -0.391960
C 6.436694 -0.612298 -0.207614
H 2.141685 -1.030550 -0.004425
H 1.978535 2.399134 2.502367
H -0.300406 -3.949628 -0.362775
H 0.030937 0.798640 2.220359
H 1.655118 0.101187 1.784668
H 1.750805 -3.619523 -1.650934
H 3.259390 -2.671989 -1.488833
H 1.838755 -1.963677 -2.319205
H 1.742851 -3.942722 0.978245
H 1.831264 -2.502471 2.032389
H 3.252665 -2.986705 1.058887
H -2.765097 -3.648013 -0.437622
H 2.064005 2.195518 -0.568703
H 2.864887 3.485104 0.378829
H -4.683668 -2.390857 -0.222394
H -4.549057 -0.977098 -1.315356
H -4.651268 -0.726955 0.432930
H 4.255587 1.693785 1.399921
H -0.375629 2.892094 1.074144
H 3.817458 0.865864 -1.424275
H 4.977124 2.156144 -1.017617
H -4.317416 2.902426 0.151046
H -3.185203 3.360171 -1.155735
H -4.794049 2.403881 -2.887990
H -5.933997 1.956180 -1.581396
H -5.592883 3.680610 -1.920132
H 7.214930 -1.335426 -0.045416


