%chk=000100793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100793

0 1
 O   -2.789800     -0.4533000      -1.040900    
 O   -4.103200      -2.905700     -0.1720000    
 O   -4.090400       1.922300     -0.4888000    
 O    6.138400      -2.411800     -0.5677000    
 O    9.326600      0.1231000       1.567400    
 O   -4.179200       4.208700     -0.5898000    
 N    5.879200     -9.1499999E-02 -0.5770000    
 N    7.720800      -1.135500      0.4940000    
 C    2.119000     -0.2151000      -1.254000    
 C   0.8969000     -0.2829000     -0.3361000    
 C    3.419300     -0.1810000     -0.4456000    
 C  -0.3994000     -0.3507000      -1.140600    
 C    4.657200     -9.9699996E-02  -1.333300    
 C   -1.622400     -0.3754000     -0.2347000    
 C   -3.994000     -0.4679000     -0.3860000    
 C    6.402200       1.131400     -0.1738000    
 C   -4.598400      -1.650200      1.7800000E-02
 C   -4.685100      0.7036000     -8.6499996E-02
 C    6.542800      -1.293000     -0.2446000    
 C   -5.818600      -1.710500      0.6848000    
 C   -5.910900      0.7065000      0.5790000    
 C    7.529600       1.278500      0.5329000    
 C   -6.493200     -0.5081000      0.9743000    
 C    8.285000      5.7399999E-02  0.9200000    
 C   -6.067900      -3.090700      0.9082000    
 C   -6.558800       1.981000      0.8467000    
 C    8.073800       2.605100      0.9559000    
 C   -4.999500      -3.770100      0.3706000    
 C   -5.987400       3.124500      0.4617000    
 C   -4.692700       3.151000     -0.2421000    
 H    2.056000      0.6791000      -1.885900    
 H    2.127400      -1.084600      -1.922200    
 H   0.8803000      0.5987000      0.3163000    
 H   0.9713000      -1.164000      0.3129000    
 H    3.479500      -1.076400      0.1861000    
 H    3.401300      0.6783000      0.2366000    
 H  -0.4023000      -1.241300      -1.781400    
 H  -0.4706000      0.5081000      -1.819900    
 H    4.669300     -0.9663000      -2.005900    
 H    4.613700      0.7890000      -1.975400    
 H   -1.654600      0.5336000      0.3778000    
 H   -1.578400      -1.245100      0.4321000    
 H    5.825600       2.002900     -0.4693000    
 H   -7.447400     -0.5294000       1.493800    
 H    8.215200      -1.987500      0.7441000    
 H   -6.921500      -3.534600       1.400300    
 H   -7.512200       1.987000       1.363400    
 H    8.140300       2.660900       2.047400    
 H    7.441000       3.432900      0.6187000    
 H    9.073800       2.759300      0.5377000    
 H   -4.741500      -4.816400      0.2968000    
 H   -6.467800       4.076500      0.6598000    


%chk=000100793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100793

0 1
O -2.772549 -0.685500 -0.843231
O -4.688369 -2.710494 -1.447049
O -3.738445 1.557589 0.772326
O 6.066977 -1.903751 1.415194
O 9.442871 1.337227 1.463358
O -3.303239 3.570272 1.803276
N 6.026481 -0.223941 -0.237114
N 7.739478 -0.259442 1.384995
C 2.210015 -0.725852 -0.774528
C 0.935781 -0.107828 -0.156231
C 3.506221 -0.139168 -0.173260
C -0.360147 -0.696020 -0.761504
C 4.766398 -0.773391 -0.800844
C -1.606188 -0.060910 -0.144486
C -4.057801 -0.561971 -0.342338
C 6.602420 0.931794 -0.768919
C -4.986169 -1.570971 -0.682188
C -4.600537 0.499294 0.437562
C 6.575091 -0.871159 0.895138
C -6.361468 -1.581544 -0.294210
C -5.976980 0.517364 0.858310
C 7.741360 1.522365 -0.270342
C -6.864050 -0.526879 0.492053
C 8.393573 0.910753 0.897578
C -6.925133 -2.799680 -0.860963
C -6.409842 1.650231 1.652130
C 8.361749 2.764613 -0.859811
C -5.906719 -3.436018 -1.533845
C -5.561128 2.678956 1.991772
C -4.164261 2.700827 1.568643
H 2.198616 -0.562454 -1.872590
H 2.196347 -1.824050 -0.619312
H 0.950655 0.991467 -0.305508
H 0.946249 -0.274563 0.940446
H 3.524984 -0.318295 0.918659
H 3.524867 0.959035 -0.324522
H -0.392395 -1.791136 -0.605712
H -0.377883 -0.524507 -1.855193
H 4.771363 -1.859628 -0.607550
H 4.783981 -0.612226 -1.894986
H -1.633753 1.030799 -0.295428
H -1.681765 -0.271454 0.939492
H 6.081756 1.347808 -1.636871
H -7.908330 -0.496729 0.817576
H 8.164300 -0.711509 2.201073
H -7.952396 -3.147336 -0.774674
H -7.454367 1.675142 1.984863
H 8.421827 3.567976 -0.103398
H 7.783737 3.134454 -1.724219
H 9.399296 2.567222 -1.185246
H -5.844868 -4.358259 -2.105023
H -5.889309 3.532177 2.590254


