%chk=000109547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109547

0 1
 O    2.604000      -1.857100     -0.1377000    
 O   -1.096700       1.995200     -0.2534000    
 O   0.6656000       3.830600     -6.1600000E-02
 O   0.8419000      -3.692400     -0.3325000    
 O    6.466900      -1.864600       1.257300    
 N    4.545500     -0.1581000      5.8600001E-02
 N   -3.037600      0.2968000     -0.4539000    
 C    2.149400      0.4532000     -8.4799998E-02
 C  -0.6420000     -0.3152000     -0.3093000    
 C    1.177400       1.455400     -0.1150000    
 C   0.3300000      -1.317400     -0.2790000    
 C    1.761300     -0.9698000     -0.1656000    
 C  -0.2538000       1.107700     -0.2284000    
 C    3.502600      0.7960000      2.2700001E-02
 C   -1.995100     -0.6579000     -0.4174000    
 C    1.558500       2.800300     -3.7799999E-02
 C  -5.1100001E-02  -2.662300     -0.3568000    
 C    3.878000       2.137500      9.9399999E-02
 C   -2.370600      -1.999400     -0.4945000    
 C    2.908000       3.137500      6.9200002E-02
 C   -1.400700      -2.999500     -0.4643000    
 C    5.922500      0.2054000      0.1675000    
 C   -4.377000      0.2580000     -2.8400000E-02
 C    6.792100      -1.040100      0.1452000    
 C   -5.345100       1.021200     -0.6860000    
 C   -4.746400     -0.5437000       1.054600    
 C   -6.673800      0.9831000     -0.2633000    
 C   -6.075200     -0.5819000       1.477100    
 C   -7.038900      0.1816000      0.8181000    
 H    4.909100       2.465300      0.1856000    
 H   -3.407400      -2.302900     -0.6109000    
 H    4.298800      -1.127300     -9.6299998E-02
 H    3.210900       4.179700      0.1299000    
 H   -1.703600      -4.041100     -0.5319000    
 H   -2.781000       1.163300     -0.9173000    
 H    6.098500      0.7321000       1.113200    
 H    6.229400      0.8472000     -0.6664000    
 H    7.849800     -0.7704000      0.2200000    
 H    6.647600      -1.621000     -0.7719000    
 H  -0.2413000       3.499000     -0.1380000    
 H    1.748900      -3.360700     -0.2576000    
 H   -5.074100       1.649600      -1.530800    
 H   -4.014600      -1.129000       1.604900    
 H   -7.424200       1.577700     -0.7761000    
 H   -6.358800      -1.201200       2.323100    
 H   -8.073100      0.1530000       1.148200    
 H    5.536700      -2.131600       1.169800    


%chk=000109547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109547

0 1
O 2.697958 -1.921565 -0.323219
O -1.129205 2.107033 -0.104618
O 0.622910 3.849195 0.010112
O 0.942156 -3.662385 -0.450173
O 6.521542 -1.454708 1.729539
N 4.577950 -0.143310 -0.169304
N -3.006208 0.335560 -0.105213
C 2.205061 0.447897 -0.164225
C -0.641355 -0.267197 -0.198982
C 1.186236 1.466639 -0.111322
C 0.379205 -1.283612 -0.278096
C 1.796904 -0.937366 -0.256239
C -0.230579 1.121302 -0.134964
C 3.600414 0.826168 -0.134345
C -2.034617 -0.648887 -0.193722
C 1.555788 2.846339 -0.037730
C 0.009726 -2.661708 -0.378345
C 3.929055 2.226263 -0.067243
C -2.362439 -2.041456 -0.341878
C 2.937117 3.203173 -0.019119
C -1.371515 -3.015412 -0.431970
C 6.026542 0.093911 -0.163588
C -4.401580 0.201988 0.117513
C 6.756427 -1.176004 0.311024
C -5.255580 1.187066 -0.452073
C -4.967107 -0.810495 0.941963
C -6.645063 1.147209 -0.219513
C -6.360675 -0.847033 1.159134
C -7.209328 0.124019 0.578659
H 4.977829 2.534875 -0.064882
H -3.410893 -2.335985 -0.426621
H 4.194912 -1.106614 -0.302226
H 3.189766 4.266367 0.029689
H -1.625462 -4.071581 -0.560063
H -2.594164 1.299589 -0.148718
H 6.277380 0.915251 0.533245
H 6.392000 0.379470 -1.174388
H 7.845178 -1.031447 0.224483
H 6.466074 -2.042009 -0.323418
H -0.313391 3.367829 -0.025090
H 1.879117 -3.179058 -0.414173
H -4.821482 1.971086 -1.082840
H -4.320705 -1.532146 1.450435
H -7.288699 1.912074 -0.667630
H -6.781777 -1.628047 1.802006
H -8.289515 0.091027 0.754575
H 5.545394 -1.541509 1.881053


