%chk=000053754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053754

0 1
 O   -3.735600      -3.112200     -0.1223000    
 O    1.107700       1.110500     -0.3043000    
 O   -1.618100       1.379800      -1.509700    
 N   -3.424500     -0.2896000     -0.3168000    
 N   -1.239000       2.528800      0.4678000    
 C   -2.278500      -1.173500     -6.2500000E-02
 C   -4.653500     -0.8922000      0.2181000    
 C   -3.199300       1.032300      0.2643000    
 C   -2.541800      -2.549400     -0.6677000    
 C   -4.860700      -2.275200     -0.3927000    
 C   -1.956200       1.650300     -0.3540000    
 C  -2.4700001E-02   3.200900      2.1500001E-02
 C    1.213200       2.378700      0.3298000    
 C   -1.653800       2.838000       1.834300    
 C    2.149400      0.2393000     -0.1201000    
 C    3.219700      0.2441000      -1.009500    
 C    2.128600     -0.6453000      0.9539000    
 C    4.263200      -1.532600      0.2522000    
 C    4.279100     -0.6439000     -0.8231000    
 C    3.188100      -1.533200       1.140600    
 C    3.254300       1.187600      -2.166600    
 C   0.9861000     -0.6617000       1.915400    
 C    5.396500      -2.481400      0.4514000    
 H   -1.347700     -0.8035000     -0.5008000    
 H   -2.122200      -1.283100       1.018700    
 H   -4.589900     -0.9831000       1.310400    
 H   -5.519500     -0.2643000     -2.0600000E-02
 H   -3.113600      0.9339000       1.349500    
 H   -4.037300       1.701900      3.8300000E-02
 H   -1.716100      -3.226600     -0.4263000    
 H   -2.624000      -2.502500      -1.760500    
 H   -5.023200      -2.219000      -1.476000    
 H   -5.742400      -2.749900      4.9899999E-02
 H  -9.7900003E-02   3.327000      -1.065300    
 H   3.8600001E-02   4.201300      0.4619000    
 H    1.312300       2.243700       1.413500    
 H    2.100700       2.908700     -3.3300001E-02
 H   -2.731700       3.016400       1.874200    
 H   -1.149000       3.734500       2.205400    
 H   -1.393300       1.991200       2.476300    
 H    5.118800     -0.6455000      -1.514100    
 H    3.175500      -2.226200       1.978700    
 H    3.594100       2.175300      -1.840600    
 H    3.935400      0.8347000      -2.948800    
 H    2.266900       1.282500      -2.630900    
 H   0.7571000      -1.686700       2.227400    
 H    1.237800     -7.3500000E-02   2.803700    
 H   6.9399998E-02 -0.2542000       1.482900    
 H    6.339400      -2.049900      9.8499998E-02
 H    5.208900      -3.410500     -9.5799997E-02
 H    5.531300      -2.720200       1.511800    


%chk=000053754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053754

0 1
O -4.896251 -2.860216 -1.517217
O 1.206354 0.887076 0.732951
O -1.495409 1.153682 -1.484812
N -3.737150 -0.354055 -0.615125
N -1.269835 2.259047 0.553916
C -2.874704 -1.505918 -0.991533
C -5.046453 -0.828088 -0.098963
C -3.094345 0.582022 0.315140
C -3.597472 -2.377953 -2.027235
C -5.734878 -1.707541 -1.156544
C -1.894663 1.340668 -0.294908
C -0.021492 2.893715 0.091836
C 1.230356 2.359534 0.814121
C -1.625269 2.441058 1.969901
C 2.469676 0.233393 0.622734
C 2.891585 -0.190400 -0.665839
C 3.219475 -0.049949 1.794322
C 4.889428 -1.212566 0.385556
C 4.106284 -0.913402 -0.756548
C 4.429498 -0.771155 1.650747
C 2.066181 0.128191 -1.898284
C 2.727236 0.399964 3.157515
C 6.170582 -2.020972 0.261279
H -1.941879 -1.113112 -1.428051
H -2.623282 -2.128690 -0.094742
H -4.931217 -1.421588 0.845136
H -5.688666 0.046919 0.122198
H -2.741710 0.076404 1.255061
H -3.856614 1.324275 0.627051
H -3.017007 -3.286803 -2.255778
H -3.757461 -1.790069 -2.955845
H -5.944968 -1.096976 -2.061236
H -6.675149 -2.133438 -0.767702
H 0.052005 2.688228 -0.988000
H -0.080352 3.990359 0.249473
H 1.247317 2.665117 1.881420
H 2.135858 2.766013 0.320652
H -2.710685 2.342663 2.126977
H -1.336909 3.459871 2.286026
H -1.107956 1.712272 2.626137
H 4.445330 -1.252537 -1.744032
H 5.019242 -0.999950 2.547844
H 2.263631 1.158161 -2.257152
H 2.312028 -0.559207 -2.726027
H 0.984309 0.073233 -1.690273
H 3.228692 -0.160522 3.964846
H 2.926990 1.476282 3.328033
H 1.636205 0.252010 3.248589
H 6.687536 -1.817553 -0.693529
H 5.961685 -3.108261 0.294538
H 6.872891 -1.796735 1.083475


