%chk=000129959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129959

0 1
 O   -5.862900       1.600600     -0.6733000    
 O   0.8293000       1.415900      -1.089900    
 O  -0.1259000      -3.083700     -0.1659000    
 N   0.3057000     -0.8317000     -0.6425000    
 N    3.585300      0.8069000     -9.8700002E-02
 N    2.023300      -2.306500      0.2709000    
 N    4.197300      -1.209500      0.6289000    
 C   -4.357700      0.3063000      0.7230000    
 C   -3.433800     -6.1799999E-02 -0.4460000    
 C   -5.822900      0.5736000      0.3194000    
 C   -1.985700     -0.2304000      2.8500000E-02
 C   -1.046000     -0.6544000      -1.095600    
 C    2.483900      8.2000000E-03 -0.2151000    
 C    1.171600      0.3066000     -0.6896000    
 C    2.885500      -1.219100      0.2367000    
 C   -6.500100     -0.6627000     -0.2737000    
 C   -6.616900       1.063500       1.534900    
 C   0.6863000      -2.151600     -0.1731000    
 C    3.697500       2.204700     -0.4408000    
 C    4.591100      2.8700000E-02  0.4138000    
 C    3.346600       3.113700      0.7350000    
 C    2.489600      -3.598000      0.7598000    
 C    3.459100       4.580600      0.3533000    
 H   -4.321600     -0.4860000       1.481400    
 H   -3.953700       1.214600       1.190000    
 H   -3.768300     -0.9966000     -0.9085000    
 H   -3.461500      0.7160000      -1.216900    
 H   -1.633100      0.7117000      0.4671000    
 H   -1.952000     -0.9768000      0.8323000    
 H   -1.408600      -1.586800      -1.543800    
 H   -1.068800      0.1006000      -1.890600    
 H   -7.547000     -0.4500000     -0.5203000    
 H   -6.029900     -0.9742000      -1.212200    
 H   -6.476700      -1.506200      0.4240000    
 H   -6.183400       1.986500       1.936500    
 H   -7.648900       1.305100       1.255900    
 H   -6.638300      0.3134000       2.332100    
 H    4.733100       2.379800     -0.7574000    
 H    3.066900       2.406200      -1.311800    
 H    5.581800      0.4162000      0.6093000    
 H    4.012100       2.907600       1.581900    
 H    2.325900       2.908100       1.079000    
 H   -5.546200       1.232300      -1.514900    
 H    3.324200      -3.933300      0.1363000    
 H    1.699200      -4.352000      0.7257000    
 H    2.825300      -3.485300       1.795300    
 H    4.478000       4.826900      3.8300000E-02
 H    3.204800       5.215300       1.207900    
 H    2.776500       4.825500     -0.4667000    


%chk=000129959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129959

0 1
O -5.917898 1.724845 -0.615214
O 0.821523 1.426107 -1.140556
O -0.131195 -3.088378 -0.151169
N 0.379131 -0.847664 -0.649405
N 3.716078 0.793136 -0.116989
N 2.050663 -2.335742 0.262164
N 4.272051 -1.303092 0.624533
C -4.365912 0.312526 0.737676
C -3.422484 -0.084920 -0.420688
C -5.847139 0.585735 0.344854
C -1.966336 -0.270066 0.062342
C -1.027940 -0.660255 -1.099915
C 2.561137 0.000638 -0.227296
C 1.237654 0.304112 -0.707761
C 2.941189 -1.273088 0.230867
C -6.528318 -0.653425 -0.280853
C -6.635081 1.090993 1.566142
C 0.717649 -2.150865 -0.174162
C 3.823913 2.237998 -0.420959
C 4.701490 -0.031169 0.399003
C 3.182360 3.126288 0.668197
C 2.484047 -3.657686 0.755953
C 3.322985 4.622330 0.318031
H -4.347953 -0.485669 1.507541
H -3.971730 1.231889 1.214640
H -3.767697 -1.026380 -0.892924
H -3.438696 0.701301 -1.205630
H -1.605393 0.669662 0.522813
H -1.931080 -1.060898 0.835961
H -1.358901 -1.609680 -1.552432
H -1.014562 0.137132 -1.861961
H -7.575638 -0.414649 -0.535937
H -6.016845 -0.976054 -1.207097
H -6.524060 -1.507837 0.420860
H -6.175408 2.014947 1.958143
H -7.675785 1.321224 1.279401
H -6.646328 0.331276 2.368280
H 4.898881 2.472473 -0.531312
H 3.323416 2.423039 -1.387051
H 5.712613 0.318639 0.593488
H 3.658518 2.913785 1.645080
H 2.112576 2.861961 0.750439
H -5.467778 1.455432 -1.456678
H 3.313340 -4.037938 0.136472
H 1.620111 -4.334920 0.695086
H 2.833427 -3.575554 1.798707
H 4.384442 4.922532 0.230115
H 2.859941 5.251086 1.098636
H 2.821023 4.853347 -0.639537


