%chk=000105356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105356

0 1
 O  -0.7063000      0.4373000      0.1343000    
 O   0.2666000      0.2053000       2.207600    
 N    1.853200      -1.804300     -8.7200001E-02
 C   -4.450900      0.1302000      0.1315000    
 C   -3.036700      0.3360000     -0.4067000    
 C   -5.485400      0.1732000     -0.9927000    
 C   -1.996100      0.2527000      0.7010000    
 C    2.325000     -0.4795000     -0.2205000    
 C    1.627400      0.5976000      0.2894000    
 C   -6.891500     -6.5300003E-02 -0.4654000    
 C   0.3419000      0.3900000       1.002800    
 C    3.529800     -0.2521000     -0.8855000    
 C    2.087100       1.894300      0.1603000    
 C    1.575500      -2.603800      -1.262400    
 C    1.655400      -2.382000       1.226100    
 C    4.013200       1.048500      -1.027800    
 C    3.291900       2.121800     -0.5048000    
 H   -4.679600      0.9050000      0.8733000    
 H   -4.510000     -0.8369000      0.6459000    
 H   -2.958500       1.308700     -0.9082000    
 H   -2.808800     -0.4155000      -1.173100    
 H   -5.448500       1.146700      -1.495300    
 H   -5.251000     -0.5893000      -1.744600    
 H   -2.042500     -0.7292000       1.186700    
 H   -2.181400       1.032200       1.449400    
 H   -6.969900      -1.046500      1.3300000E-02
 H   -7.170100      0.6984000      0.2677000    
 H   -7.615100     -2.8800000E-02  -1.285800    
 H    4.108200      -1.076900      -1.293800    
 H    1.530700       2.734700      0.5650000    
 H   0.9537000      -3.470400      -1.012300    
 H    2.504400      -2.975100      -1.707000    
 H    1.034300      -2.019900      -2.015100    
 H    2.195000      -1.833400       2.006100    
 H    2.028100      -3.412300       1.245700    
 H   0.5909000      -2.409300       1.479700    
 H    4.952000       1.225700      -1.544300    
 H    3.668600       3.134500     -0.6152000    


%chk=000105356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105356

0 1
O -0.613190 0.317710 0.301257
O 0.164670 1.561040 2.106109
N 1.510223 -1.578359 -0.512014
C -4.436724 0.152027 0.217019
C -2.961810 -0.066781 -0.194954
C -5.436661 -0.483678 -0.775819
C -1.995113 0.577923 0.799023
C 2.198085 -0.366529 -0.388453
C 1.770005 0.708459 0.475536
C -6.908681 -0.266140 -0.364604
C 0.416540 0.881149 1.074430
C 3.427283 -0.182967 -1.105665
C 2.643927 1.810121 0.706064
C 1.785445 -2.479582 -1.638888
C 0.733513 -2.170901 0.586059
C 4.236896 0.946108 -0.905009
C 3.869532 1.942174 0.034048
H -4.643396 1.239668 0.295069
H -4.609046 -0.271110 1.228704
H -2.784353 0.359043 -1.201215
H -2.749470 -1.152112 -0.264042
H -5.265658 -0.059211 -1.785948
H -5.229621 -1.570361 -0.855669
H -2.093744 0.154520 1.816770
H -2.142094 1.671576 0.872848
H -7.112709 -0.708698 0.628694
H -7.149092 0.812196 -0.306335
H -7.603670 -0.728207 -1.089477
H 3.775334 -0.965903 -1.785135
H 2.299882 2.583395 1.400965
H 0.925658 -3.159126 -1.770257
H 2.694109 -3.103162 -1.485580
H 1.904990 -1.908761 -2.575475
H 0.927855 -1.631659 1.527407
H 1.046871 -3.224569 0.728840
H -0.354764 -2.141038 0.391631
H 5.176902 1.035221 -1.462200
H 4.512680 2.808826 0.214366


