%chk=000090708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090708

0 1
 O    1.402300     -2.4700001E-02   2.445800    
 O   -2.698200       2.066700      -2.186400    
 N   0.4693000     -0.7802000     -9.9399999E-02
 N   -2.302500       3.187100     -0.1501000    
 C   0.2761000      -2.080400      0.5053000    
 C    1.137400     -0.7080000      -1.398300    
 C   2.0199999E-02  0.3884000      0.5278000    
 C   -1.095400      -2.598200      0.2308000    
 C    2.586400     -0.3454000      -1.226600    
 C   0.4926000      0.7544000       1.795000    
 C  -0.9152000       1.209000     -0.1152000    
 C   -1.370600       2.376000      0.4983000    
 C   3.7200000E-02   1.921500       2.408200    
 C  -0.8946000       2.732200       1.760000    
 C   -2.138500      -2.310900       1.111300    
 C    2.963100      0.9915000      -1.228600    
 C   -1.335200      -3.369400     -0.9066000    
 C    3.530700      -1.351400      -1.067500    
 C   -3.421200      -2.794900      0.8547000    
 C    4.307400       1.328100      -1.069100    
 C   -2.618100      -3.853300      -1.163200    
 C    4.874900      -1.014700     -0.9078000    
 C   -3.661100      -3.566100     -0.2825000    
 C    5.263100      0.3251000     -0.9086000    
 C    1.832000      0.4183000       3.731100    
 C   -2.889800       2.995100      -1.407800    
 C   -3.852500       4.104200      -1.750500    
 H    1.016500      -2.797500      0.1268000    
 H   0.4495000      -2.070200       1.587400    
 H    1.063600      -1.666900      -1.927700    
 H   0.6474000      1.1400000E-02  -2.066600    
 H   -1.265200      0.8773000      -1.082900    
 H   0.3608000       2.262600       3.385400    
 H   -1.241500       3.639100       2.248900    
 H   -1.965900      -1.712300       2.001800    
 H    2.228400       1.781700      -1.354500    
 H  -0.5325000      -3.602800      -1.600700    
 H    3.240900      -2.398300      -1.066300    
 H   -2.584300       4.020100      0.3626000    
 H   -4.233300      -2.571300       1.540400    
 H    4.609800       2.371300      -1.069900    
 H   -2.804900      -4.454200      -2.048400    
 H    5.619300      -1.795600     -0.7830000    
 H   -4.659800      -3.942900     -0.4824000    
 H    6.309800      0.5872000     -0.7842000    
 H    2.552400     -0.3190000       4.100500    
 H    2.360900       1.375800       3.672700    
 H    1.004900      0.4398000       4.448800    
 H   -3.330400       5.065200      -1.741000    
 H   -4.270100       3.937900      -2.747300    
 H   -4.667900       4.123600      -1.021900    


%chk=000090708-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090708

0 1
O 0.894583 0.456937 3.128437
O -2.266341 2.672694 -2.260927
N 0.761461 -0.077911 0.377705
N -2.642686 3.503890 -0.094153
C 0.793407 -1.456760 0.956720
C 1.022945 -0.011951 -1.078288
C -0.084690 0.902702 0.954485
C -0.353285 -2.342239 0.467111
C 2.401629 -0.556957 -1.447840
C -0.031266 1.199126 2.362815
C -0.965775 1.672691 0.148171
C -1.757000 2.710444 0.699125
C -0.846710 2.212108 2.907827
C -1.704120 2.975715 2.087215
C -1.670739 -2.160757 0.965121
C 3.541298 -0.226686 -0.670773
C -0.128159 -3.353060 -0.502117
C 2.570353 -1.351675 -2.607433
C -2.734399 -2.967827 0.505539
C 4.823991 -0.678031 -1.050433
C -1.189729 -4.166181 -0.962386
C 3.854753 -1.801014 -2.993674
C -2.497156 -3.975430 -0.459781
C 4.986357 -1.465314 -2.215813
C 1.021579 0.790751 4.547152
C -2.859491 3.468074 -1.470251
C -3.890091 4.476789 -1.978847
H 1.761126 -1.910483 0.679575
H 0.772939 -1.355948 2.052229
H 0.244339 -0.543745 -1.668694
H 0.977309 1.052496 -1.374196
H -1.069497 1.463834 -0.916766
H -0.801369 2.439301 3.976764
H -2.316214 3.770554 2.530496
H -1.860361 -1.382032 1.713759
H 3.403155 0.375394 0.235168
H 0.886496 -3.505777 -0.891996
H 1.693284 -1.616275 -3.211740
H -3.186374 4.193524 0.428604
H -3.745529 -2.816227 0.900782
H 5.697226 -0.415919 -0.441743
H -0.997445 -4.946027 -1.708395
H 3.970486 -2.413590 -3.895195
H -3.321729 -4.604570 -0.814062
H 5.982223 -1.814530 -2.511595
H 1.804308 0.119308 4.930394
H 1.332997 1.844689 4.684759
H 0.075125 0.609607 5.093736
H -4.318214 5.120827 -1.190494
H -3.416005 5.117113 -2.742425
H -4.710796 3.930350 -2.475073


