%chk=000126402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126402

0 1
 O   0.1791000       1.273700      5.5599999E-02
 O    1.764800       1.520200       1.717300    
 O   -5.024200     -0.2354000      0.1295000    
 N   -2.640100       1.271300     -0.2544000    
 C    2.068600     -0.1275000     -3.4400001E-02
 C    2.416900      0.4077000      -1.449400    
 C    3.383300     -0.4714000      0.7159000    
 C    3.447200       1.539000      -1.444100    
 C    4.424200      0.6506000      0.6917000    
 C    4.721800       1.125600     -0.7228000    
 C    1.136800      -1.353300     -4.3800000E-02
 C    1.344400      0.9837000      0.7011000    
 C   0.7207000      -1.914500       1.159900    
 C   0.7158000      -1.892400      -1.256000    
 C  -0.6096000       2.311300      0.6467000    
 C   -1.864200       2.508000     -0.1893000    
 C   -3.800200       1.429200      -1.142400    
 C   -3.083600      0.8625000       1.085600    
 C  -0.1235000      -3.024900       1.151600    
 C  -0.1285000      -3.002700      -1.264200    
 C   -4.601100      0.1310000      -1.184400    
 C   -3.900500     -0.4229000      0.9907000    
 C  -0.5481000      -3.568900     -6.0400002E-02
 H    1.525400      0.7591000      -1.984400    
 H    2.849100     -0.4019000      -2.053500    
 H    3.830600      -1.367200      0.2627000    
 H    3.191500     -0.7278000       1.765500    
 H    3.687500       1.816800      -2.477000    
 H    3.023700       2.431900     -0.9693000    
 H    4.110300       1.500900       1.304600    
 H    5.351800      0.2817000       1.146000    
 H    5.216800      0.3227000      -1.282800    
 H    5.420600       1.969200     -0.6913000    
 H    1.030900      -1.502800       2.116000    
 H    1.001700      -1.490000      -2.220500    
 H  -0.8128000       2.097400       1.700500    
 H  -2.7899999E-02   3.241300      0.6127000    
 H   -2.456000       3.337600      0.2169000    
 H   -1.556700       2.784100      -1.206000    
 H   -4.444300       2.243400     -0.7854000    
 H   -3.471600       1.676200      -2.158300    
 H   -2.243900      0.6411000       1.749800    
 H   -3.692300       1.651300       1.546100    
 H  -0.4528000      -3.464000       2.088800    
 H  -0.4620000      -3.425400      -2.207600    
 H   -5.498100      0.2660000      -1.797300    
 H   -4.019600     -0.6889000      -1.623500    
 H   -4.282100     -0.6967000       1.979600    
 H   -3.295000      -1.261500      0.6251000    
 H   -1.206900      -4.432300     -6.6900000E-02


%chk=000126402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126402

0 1
O 0.357210 1.618223 0.116509
O 1.502587 1.103275 2.070143
O -4.801975 -0.403205 -0.407062
N -2.570619 1.441558 -0.214435
C 2.021542 -0.156835 -0.019163
C 2.218361 0.329300 -1.482925
C 3.418582 -0.476898 0.605846
C 3.195696 1.523264 -1.583860
C 4.408394 0.706019 0.498592
C 4.570680 1.187623 -0.961066
C 1.099855 -1.405419 0.087134
C 1.317138 0.917340 0.842556
C 0.830995 -1.964601 1.366482
C 0.508124 -2.013691 -1.047854
C -0.558738 2.496249 0.891830
C -1.836813 2.688317 0.073774
C -3.662689 1.653539 -1.195666
C -3.069984 0.720268 0.981614
C 0.008433 -3.102474 1.504619
C -0.313479 -3.156732 -0.912004
C -4.284813 0.304292 -1.589384
C -3.705786 -0.613731 0.554454
C -0.567000 -3.708514 0.363278
H 1.244471 0.601029 -1.925869
H 2.632548 -0.517227 -2.067642
H 3.824827 -1.357943 0.069834
H 3.297009 -0.763536 1.664816
H 3.314989 1.807155 -2.647446
H 2.758216 2.403167 -1.070190
H 4.045638 1.540911 1.129896
H 5.388196 0.398904 0.912575
H 5.057140 0.389228 -1.559519
H 5.237082 2.070906 -1.001808
H 1.255541 -1.496034 2.261942
H 0.676367 -1.599579 -2.045815
H -0.732459 2.041018 1.882124
H -0.060938 3.471035 1.050023
H -2.463843 3.437174 0.631153
H -1.570448 3.151501 -0.895243
H -4.466441 2.317650 -0.784445
H -3.245445 2.141968 -2.097278
H -2.229151 0.497897 1.663098
H -3.824282 1.328739 1.544735
H -0.183694 -3.515167 2.501678
H -0.757306 -3.613362 -1.804206
H -5.152845 0.444092 -2.255082
H -3.518094 -0.321893 -2.094749
H -4.164523 -1.127098 1.415495
H -2.925726 -1.261999 0.101735
H -1.204634 -4.593601 0.467280


