%chk=000126325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126325

0 1
 O    2.906400     -0.2466000       2.269300    
 O  -0.8886000      8.3600000E-02  -1.255500    
 N    2.751300      -1.607900      0.3973000    
 N   -2.716400      -1.336500      -1.101000    
 N    3.801900       1.727500      -1.935600    
 N   -4.897500       1.882200      0.4978000    
 C   0.2749000      -3.279700      5.5300001E-02
 C   -1.200400      -3.566700      0.3458000    
 C    1.077600      -3.144400       1.353800    
 C   -2.055200      -3.705100     -0.9193000    
 C    2.551900      -2.845000       1.100800    
 C   -2.125600      -2.452100      -1.787300    
 C    2.914800     -0.3911000       1.049600    
 C   -2.038800     -0.1413000     -0.8880000    
 C    3.084500      0.8006000      0.1788000    
 C   -2.779100      0.9063000     -0.1388000    
 C    2.710000       2.066500      0.6151000    
 C   -2.104400       1.867000      0.6064000    
 C    3.620800      0.6855000      -1.093600    
 C   -4.163700      0.9570000     -0.1605000    
 C    2.880800       3.163200     -0.2224000    
 C   -2.824600       2.835100       1.297300    
 C    3.426300       2.942500      -1.476800    
 C   -4.207000       2.799600       1.211400    
 H   0.6941000      -4.087400     -0.5563000    
 H   0.3648000      -2.354900     -0.5221000    
 H   -1.276900      -4.500400      0.9167000    
 H   -1.612600      -2.777000      0.9853000    
 H   0.6424000      -2.346000       1.967800    
 H   0.9986000      -4.073800       1.930400    
 H   -1.669200      -4.534100      -1.525000    
 H   -3.071400      -3.986100     -0.6146000    
 H    3.087100      -2.805500       2.055900    
 H    3.003700      -3.639400      0.4972000    
 H   -2.769000      -2.656900      -2.650400    
 H   -1.140400      -2.188400      -2.183000    
 H    2.713700      -1.647100     -0.6157000    
 H   -3.659600      -1.464500     -0.7508000    
 H    2.279400       2.216200       1.601400    
 H   -1.019200       1.873700      0.6632000    
 H    3.964500     -0.2590000      -1.502000    
 H   -4.767600      0.2656000     -0.7384000    
 H    2.594600       4.159000      9.6000001E-02
 H   -2.319800       3.593000       1.885300    
 H    3.579500       3.764500      -2.168200    
 H   -4.814800       3.532200       1.732100    


%chk=000126325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126325

0 1
O 4.285847 -0.803296 1.399605
O -0.669381 -0.366229 -0.224710
N 2.018933 -1.068278 1.010424
N -2.412014 -1.332283 -1.426625
N 2.080866 2.652190 -1.250011
N -4.944964 1.944171 -0.244658
C 0.262068 -3.501047 0.283574
C -1.248609 -3.781630 0.094328
C 0.614110 -3.000971 1.705847
C -1.706302 -3.769617 -1.384496
C 1.994743 -2.322596 1.791705
C -1.591407 -2.380894 -2.066410
C 3.202284 -0.378465 0.870580
C -1.897694 -0.378305 -0.575988
C 3.194390 0.904530 0.069293
C -2.854216 0.668602 -0.069084
C 4.434997 1.574566 -0.086312
C -2.489715 1.412276 1.081943
C 2.046937 1.487519 -0.532424
C -4.083511 0.991817 -0.703398
C 4.487038 2.774098 -0.823333
C -3.365664 2.403170 1.566789
C 3.289416 3.274619 -1.386109
C -4.584177 2.626537 0.882938
H 0.850417 -4.410567 0.047491
H 0.579092 -2.727587 -0.438715
H -1.512886 -4.757394 0.547799
H -1.830006 -3.018249 0.649796
H -0.160096 -2.278484 2.036001
H 0.588686 -3.841215 2.426574
H -1.093781 -4.479545 -1.976685
H -2.754953 -4.123907 -1.455087
H 2.254771 -2.099163 2.845223
H 2.793060 -2.991474 1.415470
H -1.900668 -2.460259 -3.125703
H -0.548916 -2.023066 -2.047481
H 1.141849 -0.746033 0.582986
H -3.420053 -1.350983 -1.591217
H 5.320218 1.129077 0.379268
H -1.528655 1.204902 1.562745
H 1.054699 1.028809 -0.455386
H -4.394154 0.506365 -1.637848
H 5.429280 3.313796 -0.962176
H -3.115266 2.994909 2.452191
H 3.284172 4.204260 -1.967339
H -5.298984 3.379226 1.233324


