%chk=000126391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126391

0 1
 O   -2.630900       2.378900       1.077200    
 O   -2.082200      0.2594000       2.748700    
 O   -6.361500      0.2335000      0.8180000    
 O   -5.232600       1.613400      -1.297600    
 O    1.737300       3.647200     -0.8866000    
 O    1.982100      -2.046300       1.024400    
 O    4.008000       2.555300     -0.7600000    
 O    4.285900      -3.145700       1.054500    
 O    6.379000       1.612700     -0.7791000    
 N  -0.4839000      -1.129700      0.9339000    
 C   -2.210100       1.136200      0.4994000    
 C   -2.607600     -2.7799999E-02   1.445000    
 C   -1.934200      -1.294900      0.8608000    
 C   -2.975300      0.9050000     -0.8264000    
 C  -0.6937000       1.193500      0.2633000    
 C   -2.300300      -1.542200     -0.5977000    
 C   -2.724200     -0.4740000      -1.420500    
 C   -4.131800     -0.1963000       1.571400    
 C   0.1188000      5.5399999E-02  0.5096000    
 C   -4.468000       1.025800     -0.5348000    
 C   -4.994100      0.3333000      0.6802000    
 C  -0.1114000       2.374300     -0.2191000    
 C    1.521400      0.1572000      0.3223000    
 C   -4.624700     -0.9825000       2.762500    
 C   -2.135200      -2.818400      -1.153200    
 C   -2.986800     -0.7098000      -2.776700    
 C    2.078200       1.357300     -0.1434000    
 C    1.261300       2.457000     -0.4197000    
 C   -2.398500      -3.037500      -2.504900    
 C   -2.821600      -1.985500      -3.314900    
 C    2.432800     -0.9913000      0.5963000    
 C    3.533300       1.497400     -0.3656000    
 C    3.884000     -0.8522000      0.3583000    
 C    4.415700      0.3486000     -0.1048000    
 C    4.734100      -1.939200      0.6025000    
 C    5.794000      0.4677000     -0.3249000    
 C    6.106700      -1.819000      0.3823000    
 C    6.635900     -0.6170000     -8.0700003E-02
 H   -2.202400      -2.171800       1.462400    
 H   -2.710200       1.686600      -1.550700    
 H   8.5500002E-02  -1.957100       1.058700    
 H   -2.861600       2.995400      0.3618000    
 H   -2.436300       1.121400       3.027800    
 H  -0.7304000       3.240900     -0.4399000    
 H   -5.705000      -1.156100       2.740400    
 H   -4.399000     -0.4511000       3.692500    
 H   -4.144900      -1.965400       2.798200    
 H   -1.791800      -3.645500     -0.5372000    
 H   -3.328900      9.7999997E-02  -3.418700    
 H   -2.268600      -4.029300      -2.928300    
 H   -3.026800      -2.160300      -4.367100    
 H   -6.765400      0.6710000      4.8700001E-02
 H    2.674100       3.577600      -1.121800    
 H    6.778200      -2.653600      0.5666000    
 H    7.707500     -0.5425000     -0.2466000    
 H    5.035800      -3.756400       1.155800    
 H    7.338800       1.479500     -0.8617000    


%chk=000126391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126391

0 1
O -2.689986 2.418730 0.957847
O -1.977763 0.206520 2.696729
O -6.360577 0.281458 0.839293
O -5.384056 1.528080 -1.368837
O 1.751168 3.675535 -0.980854
O 1.910061 -2.105915 0.993857
O 4.006327 2.675659 -0.846486
O 4.272120 -3.163599 1.094552
O 6.421753 1.717388 -0.726910
N -0.457443 -1.130347 0.838338
C -2.227214 1.130896 0.404701
C -2.600450 -0.033809 1.382845
C -1.918366 -1.307618 0.804306
C -3.036726 0.910208 -0.898785
C -0.717374 1.184542 0.149499
C -2.375276 -1.562317 -0.640453
C -2.793237 -0.489457 -1.476474
C -4.105963 -0.202141 1.562654
C 0.121733 0.037265 0.422660
C -4.531566 1.010692 -0.583185
C -4.979742 0.347522 0.659792
C -0.147458 2.368644 -0.320102
C 1.547859 0.149859 0.264617
C -4.606613 -0.952915 2.773662
C -2.273174 -2.863992 -1.181767
C -3.092338 -0.739540 -2.836289
C 2.111051 1.377253 -0.207679
C 1.258556 2.486221 -0.515082
C -2.576022 -3.110245 -2.538072
C -2.981176 -2.040869 -3.370634
C 2.416402 -0.992928 0.564054
C 3.552893 1.534341 -0.403945
C 3.888977 -0.848386 0.365974
C 4.450791 0.400307 -0.104947
C 4.772140 -1.939819 0.643103
C 5.866879 0.518946 -0.277616
C 6.169446 -1.789910 0.459862
C 6.710021 -0.581285 0.008153
H -2.160069 -2.174853 1.442357
H -2.788350 1.691452 -1.636862
H 0.218455 -1.893967 1.059601
H -1.946238 2.819147 1.477442
H -2.468049 0.961888 3.114234
H -0.768648 3.240594 -0.548868
H -5.514743 -1.526956 2.520947
H -4.894448 -0.258434 3.588186
H -3.833418 -1.625319 3.180404
H -1.942739 -3.688776 -0.538563
H -3.428672 0.088523 -3.470678
H -2.494084 -4.124513 -2.943171
H -3.214327 -2.220878 -4.425504
H -6.776192 0.737811 0.050701
H 2.800345 3.538516 -1.035272
H 6.837446 -2.633778 0.675081
H 7.794944 -0.486999 -0.125942
H 5.023040 -3.797440 1.237920
H 7.408591 1.630114 -0.789492


