%chk=000128375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128375

0 1
 O   -1.084100       1.363300      -2.048200    
 O    3.440600      -2.824300     -0.5166000    
 O  -0.6230000     -0.2326000      -3.660600    
 O    3.548400      -1.350100       1.265100    
 O   0.8926000       4.076500       2.833100    
 O  -0.2792000       2.225300       2.971700    
 N  -0.7604000      -2.309600      0.2989000    
 N   -3.458600      -1.175700      0.1538000    
 N   0.5808000       2.939900       2.402200    
 N   -4.594300      -1.397600       2.036100    
 C    1.171000     -0.6461000     -0.9408000    
 C  -0.3035000     -0.6792000      -1.355000    
 C    1.523100      -1.722000      9.1499999E-02
 C   -1.193500      -1.472100     -0.7164000    
 C    1.523600      0.7121000     -0.4061000    
 C   0.5630000      -2.474900      0.6749000    
 C   -2.667700      -1.540600      -1.011000    
 C  -0.6818000      0.1539000      -2.508000    
 C   0.8913000       1.186600      0.7369000    
 C   0.7964000      -3.520000       1.732200    
 C    2.480000       1.480100      -1.059500    
 C    2.954200      -1.923800      0.3713000    
 C    1.220300       2.447700       1.233900    
 C    2.808900       2.741200     -0.5625000    
 C    2.179000       3.225000      0.5842000    
 C   -3.876900      7.7799998E-02  0.4722000    
 C   -3.906700      -2.030800       1.111800    
 C   -1.488000       2.293000      -3.058800    
 C   -4.580000     -8.2699999E-02   1.643000    
 C    4.831700      -3.128800     -0.3716000    
 C   -1.907200       3.588700      -2.397600    
 H    1.758800     -0.8652000      -1.844100    
 H   -1.439200      -2.923500      0.7322000    
 H   -2.976000     -0.8787000      -1.827100    
 H   -2.953300      -2.559400      -1.300100    
 H   0.1452000      0.5735000       1.235400    
 H    1.847800      -3.609200       2.019400    
 H   0.2289000      -3.275200       2.636500    
 H   0.4671000      -4.500900       1.373000    
 H    2.978600       1.115900      -1.953400    
 H    3.555500       3.346200      -1.068800    
 H    2.460700       4.211800      0.9425000    
 H   -3.650700      0.9467000     -0.1304000    
 H   -3.717100      -3.095500       1.091000    
 H  -0.6498000       2.479000      -3.739500    
 H   -2.329700       1.876000      -3.623000    
 H   -5.075300      0.6819000       2.223400    
 H    5.022900      -3.566400      0.6129000    
 H    5.101500      -3.859200      -1.138900    
 H    5.433900      -2.226900     -0.5177000    
 H   -2.733100       3.415100      -1.699900    
 H   -1.080900       4.007000      -1.813200    
 H   -2.222000       4.324600      -3.142600    


%chk=000128375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128375

0 1
O -1.652437 0.837731 -2.849530
O 3.646710 -1.861817 -1.064354
O 0.646615 1.133596 -3.121191
O 3.078591 -3.579420 0.394530
O 1.139051 3.894069 3.547347
O -0.558518 2.531780 2.875460
N -0.830538 -1.599050 0.538799
N -3.347164 -0.533896 0.722728
N 0.661336 2.963010 2.793509
N -4.763310 -1.416583 2.266091
C 1.319609 -0.447820 -0.869074
C -0.138423 -0.193539 -1.264781
C 1.460957 -1.791461 -0.128530
C -1.153678 -0.682160 -0.463157
C 1.857900 0.713981 -0.003737
C 0.403324 -2.262913 0.631649
C -2.643173 -0.335827 -0.555159
C -0.310431 0.641360 -2.463453
C 1.046680 1.302036 0.990997
C 0.381926 -3.455321 1.559380
C 3.173345 1.214619 -0.184751
C 2.744433 -2.514634 -0.195958
C 1.551593 2.357200 1.774836
C 3.667039 2.272864 0.614590
C 2.860525 2.860555 1.610428
C -3.207661 0.244400 1.888364
C -4.300361 -1.520904 1.006898
C -1.848765 1.684544 -4.066878
C -4.082851 -0.315902 2.820238
C 4.954593 -2.534597 -1.225635
C -3.352221 1.777639 -4.307363
H 1.929729 -0.478792 -1.784803
H -1.579364 -1.886103 1.175320
H -2.754098 0.702731 -0.896930
H -3.130359 -0.967362 -1.320015
H 0.023909 0.965353 1.166123
H 1.386637 -3.882689 1.666806
H 0.001502 -3.155447 2.555298
H -0.291141 -4.242597 1.168997
H 3.803893 0.767033 -0.959139
H 4.682952 2.647747 0.452863
H 3.211819 3.684082 2.237187
H -2.525688 1.090420 1.956007
H -4.621538 -2.254115 0.269495
H -1.386064 2.670975 -3.883260
H -1.314014 1.207210 -4.907530
H -4.267371 0.002320 3.843227
H 4.814703 -3.561608 -1.602576
H 5.500794 -1.916799 -1.952803
H 5.485249 -2.577565 -0.259612
H -3.790751 0.777903 -4.469722
H -3.864981 2.252016 -3.452655
H -3.546714 2.389549 -5.206870


