%chk=000070832.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070832

0 1
 O   0.2476000     -0.3324000      0.1145000    
 O   -3.484200       2.081000     -0.1668000    
 O   -1.175300      -1.875400       1.047100    
 O   -5.415800      0.9471000      0.1456000    
 N   -1.962900     -6.1999999E-02 -0.1667000    
 C   -3.377200     -0.3359000     -5.6800000E-02
 C    2.632500     -0.3546000      0.2431000    
 C    1.366500      -1.056700      0.6379000    
 C   -3.835200      -1.218600      -1.207900    
 C  -0.9839000     -0.8547000      0.3943000    
 C   -4.199300      0.9412000     -1.0200000E-02
 C    3.262200     -0.6894000     -0.9506000    
 C    3.164900      0.6243000       1.074500    
 C    4.439200     -3.7000000E-02  -1.317500    
 C    4.341900       1.276900      0.7077000    
 C    4.979100      0.9462000     -0.4884000    
 H   -3.543200     -0.8549000      0.8947000    
 H    1.361800      -2.080600      0.2433000    
 H    1.290700      -1.115800       1.730900    
 H   -1.667400      0.7524000     -0.6970000    
 H   -3.686200     -0.7189000      -2.172000    
 H   -3.275400      -2.159800      -1.230800    
 H   -4.900200      -1.459500      -1.121500    
 H    2.849200      -1.452200      -1.605000    
 H    2.675900      0.8913000       2.007300    
 H    4.935100     -0.2940000      -2.249000    
 H    4.761900       2.042900       1.352900    
 H    5.895300       1.454400     -0.7741000    
 H   -4.054200       2.878800     -0.1359000    


%chk=000070832-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070832

0 1
O 0.257611 -0.293363 0.013971
O -3.565260 2.100886 -0.539227
O -1.225779 -1.922497 0.872604
O -5.477625 1.056232 0.269574
N -1.984402 0.057018 -0.132973
C -3.405656 -0.258024 0.046306
C 2.676077 -0.416104 0.162518
C 1.398622 -1.167392 0.445980
C -3.925434 -1.302551 -0.984231
C -1.016873 -0.817543 0.301047
C -4.269371 0.996202 -0.032000
C 3.409374 -0.665930 -1.024063
C 3.161847 0.549822 1.080248
C 4.605228 0.037415 -1.292679
C 4.355026 1.256756 0.814539
C 5.080149 1.001138 -0.373368
H -3.548437 -0.689575 1.055458
H 1.337310 -2.115384 -0.117598
H 1.267188 -1.392241 1.519426
H -1.715186 0.943014 -0.563519
H -3.807004 -0.926189 -2.015192
H -3.339427 -2.228777 -0.868412
H -4.990081 -1.524476 -0.799381
H 3.040813 -1.411152 -1.739426
H 2.600869 0.747981 2.001515
H 5.164597 -0.165490 -2.212658
H 4.721582 2.000269 1.531031
H 6.008438 1.546170 -0.578599
H -4.170799 2.887886 -0.597292


