%chk=000063332.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063332

0 1
 O   0.8771000      -1.292300     -0.7214000    
 O   -3.522600       1.646200      0.7695000    
 N   -3.739900     -0.6740000      0.7047000    
 N   -5.791000      -1.685400      5.3599998E-02
 C   -2.370300     -0.8955000       1.141800    
 C   -1.393700     -0.9873000     -2.3200000E-02
 C   4.0399998E-02  -1.239000      0.4265000    
 C   -4.192400      0.6400000      0.5577000    
 C   -5.598800      0.7641000      0.1101000    
 C   -6.338200     -0.4034000     -0.1229000    
 C   -4.561500      -1.755800      0.4452000    
 C    2.181200     -0.9053000     -0.5542000    
 C   -6.173700       2.025700     -7.5199999E-02
 C    4.825900     -0.1178000     -0.2139000    
 C   -7.666900     -0.2865000     -0.5457000    
 C    2.800100      -1.086500      0.6774000    
 C    2.871200     -0.3342000      -1.617300    
 C    6.201700      0.2924000     -3.6800001E-02
 C    4.126900     -0.6915000      0.8481000    
 C    4.198000      6.0800001E-02  -1.446500    
 C   -7.498800       2.124400     -0.4969000    
 C   -8.244600      0.9706000     -0.7319000    
 C    6.494200       1.585400      0.3977000    
 C    7.236500     -0.6056000     -0.2988000    
 C    7.820800       1.979900      0.5703000    
 C    8.563100     -0.2110000     -0.1262000    
 C    8.855400       1.081700      0.3084000    
 H   -2.335600      -1.827100       1.719500    
 H   -2.070700     -8.2699999E-02   1.813600    
 H   -1.701200      -1.784700     -0.7120000    
 H   -1.430000     -6.5800004E-02 -0.6189000    
 H   0.3270000     -0.4210000       1.100200    
 H   0.1024000      -2.193000      0.9626000    
 H   -4.082900      -2.736000      0.5956000    
 H   -5.608900       2.936400      0.1027000    
 H   -8.262100      -1.177100     -0.7333000    
 H    2.300800      -1.554200       1.520400    
 H    2.385600     -0.1929000      -2.578700    
 H    4.603600     -0.8432000       1.813700    
 H    4.728200      0.5066000      -2.284800    
 H   -7.950700       3.101300     -0.6425000    
 H   -9.277000       1.049300      -1.060400    
 H    5.699800       2.298100      0.6068000    
 H    7.026400      -1.617400     -0.6379000    
 H    8.048500       2.986400      0.9089000    
 H    9.368700     -0.9102000     -0.3301000    
 H    9.888400       1.389000      0.4429000    


%chk=000063332-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063332

0 1
O 0.798818 -0.364421 -0.562032
O -3.922876 1.719422 0.840029
N -3.916055 -0.626245 0.783692
N -5.804236 -1.935068 0.034117
C -2.513112 -0.631733 1.266195
C -1.506676 -0.482796 0.103274
C -0.070015 -0.386949 0.624392
C -4.545932 0.645998 0.580187
C -5.923950 0.552102 0.064147
C -6.507043 -0.732791 -0.197143
C -4.574676 -1.824434 0.499352
C 2.183651 -0.241918 -0.356964
C -6.670062 1.734938 -0.180386
C 5.024201 0.005179 -0.173595
C -7.834247 -0.804994 -0.702603
C 2.806612 -0.153935 0.912292
C 2.973649 -0.208641 -1.532674
C 6.505818 0.137297 -0.080312
C 4.210844 -0.031903 0.988823
C 4.369604 -0.086795 -1.436326
C -7.979954 1.647399 -0.678813
C -8.560647 0.373294 -0.940080
C 7.111909 0.880853 0.971106
C 7.359031 -0.476257 -1.039983
C 8.514642 1.004031 1.061768
C 8.761913 -0.350310 -0.953563
C 9.349074 0.389848 0.098961
H -2.344699 -1.574607 1.818874
H -2.409450 0.214497 1.967931
H -1.583695 -1.346200 -0.583316
H -1.744979 0.428139 -0.472497
H 0.075778 0.539532 1.217802
H 0.188833 -1.261225 1.259971
H -3.997294 -2.735581 0.693455
H -6.195920 2.699575 0.028006
H -8.258342 -1.794980 -0.894763
H 2.221626 -0.187686 1.836170
H 2.472873 -0.265752 -2.503903
H 4.682179 0.004327 1.977397
H 4.960590 -0.029661 -2.357012
H -8.557145 2.558401 -0.868509
H -9.582784 0.312628 -1.329551
H 6.478546 1.393217 1.704537
H 6.921992 -1.081361 -1.842634
H 8.956392 1.589128 1.876446
H 9.397388 -0.838593 -1.701170
H 10.438227 0.486934 0.167306


