%chk=000039360.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039360

0 1
 O  -5.2200001E-02  -1.743400     -0.2336000    
 O   -2.703200      -1.670900     -0.7344000    
 N   -6.465600      0.7297000      0.4360000    
 N   -3.183900     -0.7717000       1.356200    
 C    5.216300      0.3321000     -0.4921000    
 C    5.277900       1.798800     -3.0800000E-02
 C    6.212000     -0.5358000      0.2972000    
 C    6.700300       2.350800     -0.1128000    
 C    7.630400      2.5900001E-02  0.2138000    
 C    7.686600       1.482900      0.6633000    
 C    3.805500     -0.2235000     -0.4234000    
 C    3.150900     -0.3131000      0.8050000    
 C    3.163600     -0.6445000      -1.588100    
 C    1.854500     -0.8237000      0.8688000    
 C    1.867200      -1.155100      -1.524400    
 C    1.212600      -1.244700     -0.2958000    
 C   -5.020300      0.6665000      0.6113000    
 C   -4.617300     -0.6774000       1.200300    
 C   -6.873000     -7.0000002E-03 -0.7621000    
 C   -6.915300       2.120700      0.3530000    
 C  -0.8964000      -1.245600      0.8034000    
 C   -2.346000      -1.263900      0.3677000    
 C   -8.384100     -5.5999998E-03 -0.9200000    
 C   -6.320700       2.818600     -0.8584000    
 H    5.537100      0.3128000      -1.543800    
 H    4.922400       1.897100       1.002600    
 H    4.613700       2.415500     -0.6489000    
 H    6.205500      -1.562300     -9.0099998E-02
 H    5.921500     -0.5992000       1.353400    
 H    7.010300       2.405800      -1.163600    
 H    6.721300       3.373600      0.2798000    
 H    8.302200     -0.5775000      0.8348000    
 H    7.993700     -5.2400000E-02 -0.8183000    
 H    8.702800       1.870700      0.5298000    
 H    7.459900       1.542800       1.735000    
 H    3.633900      3.4000000E-03   1.725200    
 H    3.659900     -0.5813000      -2.552700    
 H    1.391100     -0.9025000       1.847800    
 H    1.372000      -1.481500      -2.434800    
 H   -4.475700      0.8358000     -0.3268000    
 H   -4.679900       1.441400       1.312000    
 H   -4.936900      -1.518200      0.5777000    
 H   -5.057100     -0.8102000       2.195200    
 H   -6.588400      -1.059700     -0.6549000    
 H   -6.388500      0.3340000      -1.683800    
 H   -6.608000       2.655000       1.261500    
 H   -8.007500       2.201200      0.3492000    
 H  -0.7890000      -1.879300       1.690900    
 H  -0.6626000     -0.2017000       1.051400    
 H   -2.782300     -0.4522000       2.233100    
 H   -8.889400     -0.2760000      1.3600000E-02
 H   -8.770400      0.9579000      -1.265600    
 H   -8.674400     -0.7476000      -1.672500    
 H   -6.617600       3.874200     -0.8307000    
 H   -6.693500       2.430000      -1.810000    
 H   -5.227300       2.815300     -0.8745000    


%chk=000039360-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039360

0 1
O -0.287200 0.319427 -0.559477
O -3.011921 2.446340 -1.696732
N -6.554242 -0.012018 -0.092231
N -2.868957 0.210977 -1.011832
C 5.374560 -0.328668 0.453105
C 6.220315 -0.205186 -0.848948
C 5.927699 0.637729 1.540792
C 7.724705 -0.446107 -0.581107
C 7.432116 0.396042 1.809044
C 8.264515 0.509081 0.509643
C 3.885129 -0.121687 0.188767
C 3.378259 1.121450 -0.266182
C 2.956451 -1.179181 0.378895
C 2.003113 1.315348 -0.525639
C 1.580905 -1.009884 0.125931
C 1.103356 0.240549 -0.328948
C -5.103814 0.168079 0.142170
C -4.302326 -0.078983 -1.164869
C -7.202969 1.207248 -0.642018
C -7.281242 -0.675483 1.017876
C -0.832200 1.589761 -1.054955
C -2.343815 1.449764 -1.278256
C -8.573361 0.929711 -1.287252
C -7.423718 0.138651 2.334286
H 5.510317 -1.363670 0.835109
H 6.082327 0.810259 -1.274861
H 5.842230 -0.919763 -1.605479
H 5.343864 0.518598 2.473972
H 5.781055 1.685273 1.205457
H 7.873567 -1.495601 -0.251544
H 8.299403 -0.322122 -1.519609
H 7.800872 1.115961 2.565490
H 7.567699 -0.617809 2.240534
H 9.330283 0.291421 0.717028
H 8.216970 1.553200 0.135641
H 4.063466 1.962732 -0.424886
H 3.318263 -2.153307 0.730164
H 1.653508 2.291637 -0.874776
H 0.870278 -1.829359 0.273004
H -4.849251 1.185674 0.520810
H -4.770811 -0.555338 0.911054
H -4.690815 0.577160 -1.962310
H -4.436644 -1.127086 -1.484445
H -6.526237 1.621720 -1.411835
H -7.310081 2.006994 0.133205
H -6.756414 -1.626112 1.234212
H -8.286752 -0.956515 0.653285
H -0.659282 2.403999 -0.324220
H -0.362457 1.870732 -2.018063
H -2.219236 -0.501015 -0.667122
H -8.482206 0.137656 -2.051573
H -9.327042 0.608625 -0.545391
H -8.955849 1.845964 -1.773405
H -7.949247 -0.462642 3.099700
H -8.003720 1.066317 2.178652
H -6.434816 0.418454 2.742238


