%chk=000100109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100109

0 1
 O  -9.9600002E-02 -0.3164000      0.9470000    
 O   -1.904800     -0.6150000       2.335100    
 O   -5.212000      -1.951500      0.5323000    
 O   -3.471600      -2.542400     -0.7988000    
 O   -3.512100       2.615900      0.1462000    
 N   -2.176200     -0.2186000      6.5499999E-02
 N   -3.649400       2.753200      -2.145500    
 C    2.212200     -0.3576000       1.547900    
 C    2.523800      -1.308900      0.4014000    
 C    2.491200      0.9945000      0.9071000    
 C    2.942200     -0.5860000     -0.7387000    
 C    2.922300      0.8272000     -0.4284000    
 C   0.7782000     -0.4871000       2.045700    
 C    2.455600      -2.692600      0.3901000    
 C    2.385200       2.253400       1.475800    
 C    3.287600      -1.247900      -1.905700    
 C    3.242300       1.926100      -1.209000    
 C    2.803400      -3.359100     -0.7862000    
 C    2.707900       3.360400      0.6889000    
 C    3.214700      -2.643800      -1.923200    
 C    3.131300       3.198500     -0.6407000    
 C   -1.443000     -0.4031000       1.218700    
 C   -3.619800     -0.2514000      1.9099999E-02
 C   -4.195500      0.6508000      -1.070400    
 C   -4.055400      -1.696600     -0.1338000    
 C   -3.758300       2.098000     -0.9404000    
 H    2.930600     -0.5227000       2.359700    
 H   0.5663000      0.2715000       2.808700    
 H   0.6200000      -1.479300       2.485400    
 H    2.142900      -3.248900       1.266900    
 H    2.063100       2.382900       2.503100    
 H    3.609100     -0.7097000      -2.791100    
 H    3.572700       1.817200      -2.236600    
 H    2.757500      -4.444200     -0.8240000    
 H    2.632400       4.360000       1.108800    
 H    3.481100      -3.184500      -2.827700    
 H    3.377300       4.075400      -1.234000    
 H   -3.973300      9.3300000E-02  0.9999000    
 H   -1.666600     -0.1017000     -0.8055000    
 H   -5.291400      0.6291000      -1.041000    
 H   -3.896700      0.2703000      -2.055700    
 H   -3.860400       2.304800      -3.031200    
 H   -3.358200       3.724300      -2.185900    
 H   -5.501500      -2.882000      0.4188000    


%chk=000100109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100109

0 1
O -0.138172 -0.421504 0.829576
O -1.959723 -0.391659 2.328684
O -5.651055 -1.695131 -0.001382
O -3.606946 -2.743173 -0.360119
O -4.146768 2.536012 0.543142
N -2.239250 -0.281117 -0.006799
N -3.772833 3.001368 -1.699290
C 2.213134 -0.344653 1.467262
C 2.656208 -1.347671 0.398541
C 2.485559 1.000729 0.789319
C 3.157013 -0.658202 -0.745556
C 3.051696 0.794183 -0.503829
C 0.778739 -0.530906 1.985240
C 2.633999 -2.751263 0.435352
C 2.265877 2.299655 1.275683
C 3.644197 -1.377899 -1.858546
C 3.406743 1.895088 -1.313793
C 3.118026 -3.474788 -0.684114
C 2.617965 3.405790 0.460943
C 3.620464 -2.791891 -1.819739
C 3.185700 3.203059 -0.821679
C -1.503036 -0.370945 1.159018
C -3.694205 -0.278756 0.020268
C -4.286716 0.671702 -1.049310
C -4.255828 -1.701924 -0.140234
C -4.051972 2.139917 -0.652753
H 2.864386 -0.447235 2.363027
H 0.513060 0.239187 2.732163
H 0.646317 -1.524546 2.452936
H 2.245662 -3.288547 1.308699
H 1.825672 2.466614 2.265861
H 4.035342 -0.856479 -2.739638
H 3.847113 1.745682 -2.306242
H 3.103691 -4.570315 -0.672348
H 2.451419 4.425454 0.825845
H 3.993207 -3.366846 -2.675023
H 3.456105 4.069405 -1.436123
H -4.008349 0.097859 1.013191
H -1.739671 -0.415204 -0.887046
H -5.378578 0.506215 -1.094961
H -3.870899 0.444398 -2.049916
H -3.668547 2.678657 -2.659309
H -3.643261 3.991591 -1.490839
H -5.996382 -2.626108 -0.067566


