%chk=000159502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159502

0 1
 O   -6.762900     -6.8999999E-03 -0.4233000    
 O   0.3250000      0.8460000     -0.1973000    
 O    1.078800      -1.326300     -0.3048000    
 N   -3.601600      0.4518000       1.089100    
 N    4.188300       1.972300      0.1229000    
 C   -3.428500       1.238400     -0.1588000    
 C   -2.862700     -0.8310000      0.9584000    
 C   -4.541800     -0.8946000     -0.9165000    
 C   -3.986700      0.4663000      -1.378300    
 C   -3.398700      -1.661800     -0.2334000    
 C   -5.629800     -0.6530000      0.1436000    
 C   -5.041000      0.1776000       1.294300    
 C   -1.947500       1.617200     -0.3197000    
 C   -1.357400     -0.5396000      0.8484000    
 C   -1.022200      0.3995000     -0.3115000    
 C    1.277800     -0.1254000     -0.2076000    
 C    2.632900      0.4680000     -8.1100002E-02
 C    3.841500     -0.2244000     -5.3599998E-02
 C    2.833900       1.797500      2.5300000E-02
 C    4.828800      0.7546000      7.7500001E-02
 C    4.232200      -1.576400     -0.1243000    
 C    6.192600      0.4479000      0.1419000    
 C    5.592900      -1.898000     -6.1099999E-02
 C    6.556400     -0.8998000      6.9899999E-02
 H   -3.984200       2.180700     -6.1500002E-02
 H   -3.005300      -1.412700       1.879200    
 H   -4.940400      -1.448100      -1.773200    
 H   -3.224500      0.3152000      -2.150800    
 H   -4.789000       1.052400      -1.843400    
 H   -3.774200      -2.624900      0.1345000    
 H   -2.612400      -1.889700     -0.9616000    
 H   -5.977500      -1.615800      0.5381000    
 H   -5.584300       1.122400       1.420500    
 H   -5.167700     -0.3631000       2.240800    
 H   -1.795000       2.189100      -1.243600    
 H   -1.655400       2.296700      0.4932000    
 H   -1.005200     -9.1100000E-02   1.788000    
 H  -0.8473000      -1.503500      0.7770000    
 H   -1.123400     -0.1270000      -1.268200    
 H   -7.079100     -0.5612000      -1.156900    
 H    2.173700       2.653600      4.4199999E-02
 H    4.651700       2.865800      0.2151000    
 H    3.499600      -2.371500     -0.2264000    
 H    6.943400       1.224300      0.2439000    
 H    5.900200      -2.939100     -0.1151000    
 H    7.607700      -1.172100      0.1170000    


%chk=000159502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159502

0 1
O -6.779080 0.013664 -0.797054
O 0.329127 0.825037 0.111109
O 1.109434 -1.286223 -0.550652
N -3.794943 0.595971 1.021150
N 4.335588 1.941426 0.530530
C -3.444608 1.209416 -0.306144
C -3.042620 -0.693464 1.191082
C -4.488373 -1.038073 -0.873355
C -3.873414 0.250701 -1.481635
C -3.454800 -1.722426 0.065522
C -5.726812 -0.667744 -0.016590
C -5.260397 0.337028 1.084642
C -1.941986 1.576554 -0.311075
C -1.526081 -0.392748 1.231259
C -1.077239 0.338674 -0.046403
C 1.346963 -0.107750 -0.168097
C 2.674790 0.468869 0.036226
C 3.950088 -0.208905 -0.152762
C 2.958738 1.777063 0.453993
C 4.978647 0.742098 0.165593
C 4.317306 -1.518024 -0.556263
C 6.352705 0.429861 0.093280
C 5.687739 -1.837517 -0.630163
C 6.693180 -0.877878 -0.310400
H -4.026256 2.147161 -0.375149
H -3.335058 -1.095989 2.179507
H -4.784319 -1.735601 -1.681520
H -3.012504 -0.016558 -2.123753
H -4.622606 0.746074 -2.124942
H -3.894135 -2.633925 0.515947
H -2.576782 -2.050552 -0.521159
H -6.141902 -1.595147 0.435161
H -5.799022 1.288528 0.927657
H -5.505744 -0.035498 2.094942
H -1.667471 2.035568 -1.278947
H -1.756487 2.318393 0.487693
H -1.318876 0.259108 2.100322
H -0.956428 -1.331786 1.350450
H -1.082713 -0.356510 -0.906424
H -7.113955 -0.605287 -1.495198
H 2.262686 2.577290 0.693248
H 4.809041 2.798582 0.809734
H 3.541395 -2.249011 -0.800013
H 7.127476 1.164779 0.338227
H 5.992137 -2.843539 -0.939454
H 7.749274 -1.161389 -0.379324


