%chk=000080104.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080104

0 1
 O   0.2451000      0.1988000     -0.6756000    
 O    1.809700       2.479400     -0.7217000    
 N   -3.300500      0.2509000      0.3301000    
 C   -2.114200     -0.1178000     -0.4417000    
 C   -3.525700       1.694300      0.2632000    
 C   -4.473500     -0.4726000     -0.1590000    
 C  -0.8835000      0.5988000      9.0599999E-02
 C    1.459100      0.2106000     -3.9999999E-02
 C   -4.719100       2.103500       1.109700    
 C   -4.257200      -1.975200     -9.6799999E-02
 C    1.904600     -0.9260000      0.6281000    
 C    2.238400       1.363100     -6.9300003E-02
 C    1.077900      -2.168600      0.6672000    
 C    3.141100     -0.9097000       1.273400    
 C    3.475100       1.379200      0.5760000    
 C    3.926300      0.2427000       1.247200    
 C    1.364400      -3.102000     -0.4795000    
 C    2.167000       2.604000      -2.096800    
 C   0.4649000      -3.453500      -1.405300    
 H   -1.901100      -1.188200     -0.3699000    
 H   -2.237600      0.1002000      -1.511200    
 H   -3.661400       2.044100     -0.7678000    
 H   -2.687700       2.247800      0.6949000    
 H   -4.738000     -0.1813000      -1.183400    
 H   -5.342200     -0.2726000      0.4767000    
 H  -0.9429000       1.683100     -3.2400001E-02
 H  -0.7401000      0.3772000       1.156500    
 H   -5.673200       1.835100      0.6456000    
 H   -4.675300       1.666100       2.113100    
 H   -4.728000       3.193000       1.229700    
 H   -5.217100      -2.487900     -0.2273000    
 H   -3.850900      -2.289500      0.8708000    
 H   -3.602800      -2.338600     -0.8952000    
 H   1.0900000E-02  -1.935300      0.7296000    
 H    1.285300      -2.711900       1.599300    
 H    3.506900      -1.787900       1.799200    
 H    4.092000       2.273600      0.5603000    
 H    4.889300      0.2553000       1.749200    
 H    2.364900      -3.523200     -0.5435000    
 H    1.755700       1.773000      -2.678600    
 H    3.255300       2.639000      -2.208400    
 H    1.745900       3.538800      -2.476700    
 H   0.7360000      -4.136800      -2.202600    
 H  -0.5488000      -3.070000      -1.386500    


%chk=000080104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080104

0 1
O 0.207369 -0.385113 -0.444012
O 1.227832 2.307417 -0.184385
N -3.405349 0.550348 -0.031168
C -2.183037 -0.010640 -0.655990
C -3.539772 2.017225 -0.248984
C -4.640945 -0.207639 -0.360482
C -0.979884 0.162566 0.279687
C 1.450710 -0.136116 0.185132
C -4.352638 2.719033 0.855722
C -4.736930 -1.551378 0.386956
C 2.210898 -1.235149 0.667307
C 1.959927 1.191287 0.293091
C 1.707974 -2.664317 0.488036
C 3.457470 -0.974564 1.291231
C 3.193756 1.430184 0.932143
C 3.940677 0.344127 1.439466
C 2.243678 -3.295450 -0.790838
C 1.038564 2.335480 -1.653523
C 1.476699 -3.797982 -1.789247
H -2.326935 -1.088689 -0.846564
H -1.952517 0.460401 -1.641797
H -3.990422 2.238128 -1.250283
H -2.522374 2.450963 -0.263351
H -4.733411 -0.379836 -1.463227
H -5.504370 0.417436 -0.068902
H -0.801502 1.225155 0.526661
H -1.130612 -0.409949 1.214381
H -5.389779 2.341155 0.909919
H -3.878646 2.552653 1.838528
H -4.403225 3.807485 0.665259
H -5.679863 -2.070249 0.131529
H -4.708780 -1.381310 1.477256
H -3.902818 -2.228181 0.126399
H 0.605148 -2.681348 0.463229
H 2.039987 -3.269984 1.355331
H 4.041894 -1.817663 1.679049
H 3.546858 2.463046 1.014202
H 4.897846 0.526654 1.939587
H 3.340362 -3.322373 -0.884088
H 0.522004 1.423522 -2.002947
H 2.018428 2.429401 -2.159377
H 0.427396 3.229210 -1.853355
H 1.921868 -4.243269 -2.686434
H 0.381461 -3.768676 -1.739947


