%chk=000128219.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128219

0 1
 O  -0.5308000       1.061400       1.261600    
 O    1.492700     -0.1360000      -1.445900    
 O   -5.788300      0.2571000      0.9199000    
 O    5.061300      -1.894900     -4.9199998E-02
 O    6.284600     -0.2815000      -1.046000    
 O   -6.210600      -2.128700     -0.2774000    
 N  -0.5577000     -0.9264000      7.6700002E-02
 N    2.959700     -0.4000000      0.3421000    
 N   -4.945800      -1.772000      0.2091000    
 C   0.7740000      -1.370800      0.4665000    
 C   0.8161000      -2.846800      8.8100001E-02
 C   -1.229900      -1.932100     -0.7421000    
 C  -0.1441000      -2.937200      -1.095400    
 C   -2.576500      0.4535000      0.2059000    
 C   -1.130400      0.2344000      0.5727000    
 C   -2.883200       1.958100      0.1218000    
 C    1.758500     -0.5645000     -0.3260000    
 C   -2.081200       2.725200     -0.9513000    
 C   -3.441600     -0.2381000       1.268600    
 C    4.082300      0.3191000     -0.2153000    
 C    4.422000       1.541600      0.6641000    
 C   -2.333100       2.190800      -2.362100    
 C   -2.439100       4.213400     -0.8945000    
 C   -4.856300     -0.5331000      0.7977000    
 C    5.002800       1.135300       2.021200    
 C    3.237300       2.493000      0.8583000    
 C    5.257600     -0.6208000     -0.4690000    
 H   0.9184000      -1.210000       1.540600    
 H    1.817300      -3.210000     -0.1631000    
 H   0.4277000      -3.453000      0.9155000    
 H   -2.007100      -2.405300     -0.1375000    
 H   -1.673200      -1.489400      -1.637300    
 H  -0.5388000      -3.945800      -1.246500    
 H   0.3678000      -2.633100      -2.016000    
 H   -2.807200      2.2000000E-02 -0.7695000    
 H   -2.702800       2.427500       1.098500    
 H   -3.953800       2.091400     -8.2099997E-02
 H   -1.008500       2.640600     -0.7432000    
 H   -2.987000      -1.178900       1.604100    
 H   -3.516000      0.3827000       2.170900    
 H    3.089100     -0.8540000       1.241700    
 H    3.786200      0.6804000      -1.208500    
 H    5.208300       2.105400      0.1434000    
 H   -3.402800       2.175800      -2.596700    
 H   -1.941300       1.176100      -2.480300    
 H   -1.832700       2.816200      -3.109400    
 H   -3.499900       4.376400      -1.113300    
 H   -2.229200       4.626100      9.7900003E-02
 H   -1.851600       4.783300      -1.622300    
 H    4.277300      0.5773000       2.622000    
 H    5.292300       2.023200       2.594300    
 H    5.898700      0.5173000       1.906400    
 H    2.814800       2.788200     -0.1079000    
 H    3.556500       3.404300       1.375500    
 H    2.441200       2.034700       1.454300    
 H   -4.178300      -2.392300     -1.7000001E-02
 H    5.829800      -2.470000     -0.2517000    
 H   -6.546600      -2.641500      0.4771000    


%chk=000128219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128219

0 1
O 0.070393 -0.723426 1.516479
O 3.131582 -1.362470 -1.785554
O -5.039950 -0.680655 0.473713
O 4.229731 -1.042878 2.361720
O 5.688819 0.700963 1.912344
O -6.334552 0.229284 2.603110
N -0.163176 -1.484855 -0.659581
N 2.597261 -0.508452 0.323223
N -4.925112 -0.050933 2.659192
C 1.129078 -2.247192 -0.610676
C 1.001951 -3.234605 -1.787914
C -0.875893 -1.689584 -1.959848
C 0.157115 -2.450535 -2.823209
C -2.059956 -0.244916 0.422227
C -0.642210 -0.830333 0.448446
C -2.004445 1.306154 0.529652
C 2.378328 -1.324791 -0.761476
C -1.516285 2.033499 -0.752399
C -2.841892 -0.859729 1.620367
C 3.767383 0.362525 0.404451
C 3.421502 1.892910 0.387928
C -2.576452 1.985051 -1.880035
C -1.147287 3.500049 -0.425161
C -4.320968 -0.529642 1.527106
C 2.529894 2.297527 1.585070
C 2.776377 2.278421 -0.960184
C 4.663670 0.052150 1.606915
H 1.194648 -2.742122 0.376365
H 1.992537 -3.503790 -2.184611
H 0.475424 -4.148994 -1.458909
H -1.790633 -2.292927 -1.801419
H -1.166673 -0.723258 -2.405698
H -0.333412 -3.103241 -3.563880
H 0.810438 -1.740476 -3.358404
H -2.594807 -0.532810 -0.498676
H -1.341413 1.561166 1.380357
H -3.017618 1.682388 0.778798
H -0.594866 1.525977 -1.112199
H -2.745858 -1.962777 1.603390
H -2.396591 -0.509217 2.569463
H 1.901848 -0.552929 1.090617
H 4.372835 0.147198 -0.500337
H 4.393421 2.415542 0.483375
H -3.485650 2.538747 -1.577136
H -2.889796 0.953269 -2.124210
H -2.189824 2.449666 -2.805917
H -2.024316 4.042015 -0.021098
H -0.338225 3.551387 0.326888
H -0.807535 4.037174 -1.330073
H 1.557807 1.769714 1.562524
H 2.325875 3.383457 1.555580
H 3.019108 2.078652 2.552355
H 3.427799 2.011558 -1.812154
H 2.584569 3.366508 -0.997636
H 1.810108 1.758491 -1.098704
H -4.528939 0.129606 3.579512
H 4.864920 -1.181210 3.116734
H -6.531185 -0.016706 1.639194


