%chk=000099765.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099765

0 1
 O  -0.1974000     -0.3400000     -0.1258000    
 O    1.293200      -2.491400      0.5415000    
 O    5.907700       1.165000     -8.3700001E-02
 O    6.000600     -0.9581000      0.4837000    
 N   -2.044000      0.4968000      -1.348700    
 N    5.353500      6.8300001E-02  0.1668000    
 C   -1.920500       1.002800       1.037500    
 C   -1.051200      0.8216000     -0.2950000    
 C   -3.138000      0.1759000      0.6721000    
 C   -3.157300     -5.0200000E-02 -0.7106000    
 C   -2.400800       2.447700       1.289300    
 C   -1.219900      0.4821000       2.301200    
 C  -0.3227000       2.084900     -0.7051000    
 C   -1.666800      9.7199999E-02  -2.688900    
 C   -4.153100     -0.2894000       1.498800    
 C   -4.214700     -0.7482000      -1.280200    
 C    1.157000     -0.1736000     -6.4499997E-02
 C    1.007600       2.192500     -0.7224000    
 C    1.796100       1.036000     -0.3378000    
 C   -5.207400     -0.9978000      0.9246000    
 C   -5.239000      -1.224200     -0.4566000    
 C    1.905600      -1.302300      0.2779000    
 C    3.191500       1.112000     -0.2602000    
 C    3.295000      -1.221300      0.3574000    
 C    3.937700     -1.4400000E-02  8.9400001E-02
 C    1.087500      -3.371900     -0.5609000    
 H   -1.562500       3.107700       1.538400    
 H   -3.104500       2.491400       2.129700    
 H   -2.920200       2.866700      0.4193000    
 H  -0.2744000       1.009400       2.468200    
 H   -1.010000     -0.5919000       2.244900    
 H   -1.839500      0.6331000       3.193000    
 H  -0.9118000       2.947900      -1.006400    
 H   -1.411900     -0.9675000      -2.721900    
 H  -0.7969000      0.6613000      -3.039600    
 H   -2.478600      0.2888000      -3.398400    
 H   -4.140500     -0.1022000       2.567100    
 H   -4.261300     -0.9355000      -2.348100    
 H    1.498300       3.112000      -1.018100    
 H   -6.013100      -1.371000       1.550600    
 H   -6.068900      -1.774100     -0.8923000    
 H    3.676400       2.061500     -0.4790000    
 H    3.850200      -2.115800      0.6300000    
 H   0.4544000      -2.900200      -1.319100    
 H   0.5821000      -4.269000     -0.1931000    
 H    2.045700      -3.665400      -1.001200    


%chk=000099765-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099765

0 1
O -0.118302 -0.324437 -0.144235
O 1.443053 -2.642166 0.490980
O 6.087297 1.161057 0.035227
O 6.166890 -1.069437 0.516662
N -2.032163 0.527858 -1.334240
N 5.518551 0.012556 0.227456
C -1.929424 1.025173 1.005336
C -1.072092 0.929590 -0.333525
C -3.070966 0.054414 0.685848
C -3.105271 -0.165827 -0.716436
C -2.525781 2.460234 1.137997
C -1.115156 0.680339 2.267870
C -0.255269 2.139218 -0.699850
C -1.665070 0.320529 -2.736042
C -4.038981 -0.526829 1.513846
C -4.099528 -0.960826 -1.317377
C 1.254893 -0.216205 -0.091474
C 1.105621 2.187651 -0.658187
C 1.925024 1.027229 -0.313167
C -5.050958 -1.337482 0.928594
C -5.077528 -1.543752 -0.469498
C 2.012771 -1.399225 0.194598
C 3.329906 1.101750 -0.211034
C 3.412230 -1.308104 0.304195
C 4.053105 -0.063688 0.108111
C 0.388893 -3.177197 -0.400724
H -1.732956 3.203539 1.338165
H -3.234958 2.479124 1.983759
H -3.076563 2.756063 0.227335
H -0.248236 1.358486 2.372492
H -0.750062 -0.358090 2.244559
H -1.747844 0.808495 3.164984
H -0.837313 3.020088 -0.989896
H -1.346900 -0.723763 -2.933096
H -0.832807 0.994091 -2.998029
H -2.520848 0.558327 -3.392900
H -4.019321 -0.368390 2.598369
H -4.122724 -1.137248 -2.397559
H 1.623764 3.121494 -0.906472
H -5.810907 -1.805382 1.563163
H -5.861374 -2.170694 -0.909462
H 3.863766 2.042897 -0.369702
H 3.994694 -2.198900 0.550356
H -0.518882 -2.555048 -0.361306
H 0.187043 -4.186263 -0.011864
H 0.763886 -3.244050 -1.440027


