%chk=000001699.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001699

0 1
 O   -1.134900      0.9778000      0.5546000    
 O   0.9992000       2.412600       1.265900    
 O    3.615800       1.217400       1.233000    
 O    1.419100      -3.437000     -0.2604000    
 O   -3.361900       1.968700       1.275000    
 O   -4.613100      0.7110000     -0.1683000    
 N   0.1272000      -1.718000      0.6294000    
 N  -0.6409000     -0.7296000      -2.859300    
 N    4.225800       1.636300      -1.521400    
 C   0.1170000      0.6593000     -7.7900000E-02
 C   0.1840000     -0.8203000     -0.5105000    
 C    1.235400       1.061100      0.8795000    
 C  -0.9711000      -1.132300      -1.487800    
 C    2.629000      0.9107000      0.2439000    
 C   -2.238100     -0.4492000      -1.049600    
 C   -2.247400      0.4906000     -9.1300003E-02
 C    2.888500       1.810500     -0.9718000    
 C   0.7531000      -2.949600      0.6493000    
 C   -3.542200       1.043900      0.3082000    
 C   0.5554000      -3.663800       1.959400    
 H   0.1639000       1.309300     -0.9607000    
 H    1.129200      -1.021100      -1.027600    
 H    1.186300      0.4797000       1.807700    
 H   -1.159900      -2.212900      -1.504200    
 H    2.806200     -0.1331000     -3.5599999E-02
 H   -3.156200     -0.7775000      -1.530400    
 H  -0.4415000      -1.441400       1.424900    
 H    2.168800       1.607500      -1.769500    
 H    2.782100       2.863600     -0.6896000    
 H   0.1662000      -1.263200      -3.181300    
 H  -0.3474000      0.2465000      -2.876000    
 H   0.1152000       2.453200       1.669100    
 H    3.485200      0.6058000       1.977600    
 H    4.355200      0.6639000      -1.799200    
 H    4.917300       1.810300     -0.7927000    
 H   0.9730000      -4.672500       1.896800    
 H    1.063300      -3.114800       2.757200    
 H  -0.5114000      -3.738400       2.189000    
 H   -4.210000       2.363800       1.569900    


%chk=000001699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001699

0 1
O -1.045344 0.857047 0.694263
O 1.119353 2.484339 1.217603
O 3.667568 1.578005 1.332244
O 1.160518 -3.542283 -0.414181
O -3.281044 1.908223 1.580540
O -4.620096 0.694598 0.115841
N 0.122328 -1.778416 0.673575
N -0.530875 -0.521341 -2.830074
N 4.371846 1.635013 -1.501328
C 0.230935 0.584487 -0.061300
C 0.246581 -0.888098 -0.488057
C 1.324795 1.057219 0.897837
C -0.913562 -1.094730 -1.524509
C 2.763835 0.971703 0.337816
C -2.191493 -0.465900 -1.011761
C -2.201877 0.423393 0.028582
C 2.970318 1.656757 -1.045015
C 0.590398 -3.083555 0.624580
C -3.479536 0.990026 0.546243
C 0.390697 -3.912619 1.887172
H 0.205311 1.203126 -0.979362
H 1.187961 -1.132414 -1.009111
H 1.275024 0.462768 1.834238
H -1.069325 -2.190166 -1.609792
H 3.078968 -0.086242 0.280782
H -3.149426 -0.724130 -1.473986
H -0.387152 -1.440419 1.493042
H 2.347239 1.162753 -1.815578
H 2.629704 2.706555 -0.970172
H -0.144780 -1.180981 -3.508568
H -1.172728 0.164699 -3.230184
H 0.191334 2.595520 1.548675
H 3.220581 2.415839 1.632811
H 4.679442 0.708786 -1.820976
H 5.004413 1.995976 -0.776254
H -0.173236 -4.827101 1.635507
H 1.376647 -4.232769 2.266328
H -0.140544 -3.373088 2.690085
H -4.169376 2.246219 1.877743


