%chk=000003186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003186

1 1
 O  -1.9400001E-02   1.782900      -1.526600    
 O   0.2936000      -2.302900      -1.492700    
 O   0.4498000     -0.7313000       1.490500    
 O  -0.3091000      -5.644800       1.149600    
 O    1.236900      -5.194600     -0.4511000    
 N    1.630200     -8.7200001E-02 -0.4030000    
 N   0.2321000       3.055900      0.3992000    
 N   -3.707100      0.5129000      0.4086000    
 N   -4.571600      0.5111000      -1.834700    
 N   -4.841800      -1.448300     -0.4773000    
 C    3.091500       1.886900     -0.6597000    
 C    1.825300       1.290300     -3.1900000E-02
 C    4.400100       1.156000     -0.2961000    
 C   0.5931000       2.059700     -0.4973000    
 C    5.618700       1.760400     -0.9947000    
 C    4.605800       1.189800       1.220900    
 C  -0.9284000       3.899000      0.2221000    
 C   -1.922300       3.769900       1.372100    
 C   -2.467000       2.344900       1.520100    
 C   0.9503000     -0.9947000      0.3992000    
 C   0.8958000      -2.390400     -0.2095000    
 C   -3.207400       1.879000      0.2708000    
 C   0.1006000      -3.354500      0.6744000    
 C   0.4228000      -4.802700      0.3733000    
 C   -4.372600     -0.1473000     -0.6261000    
 H    2.986000       1.881200      -1.753500    
 H    3.171200       2.944500     -0.3743000    
 H    1.875400       1.346900       1.061200    
 H    4.328500      0.1078000     -0.6113000    
 H    1.946400     -0.3885000      -1.320600    
 H    5.495900       1.725400      -2.082200    
 H    6.529500       1.207300     -0.7423000    
 H    5.763800       2.806400     -0.7041000    
 H    3.848600      0.5997000       1.745400    
 H    5.578700      0.7618000       1.487500    
 H    4.574500       2.214500       1.606500    
 H  -0.5535000       4.928600      0.1976000    
 H   -1.396900       3.715900     -0.7490000    
 H   -2.752000       4.468800       1.214300    
 H   -1.435400       4.056200       2.312300    
 H   0.8235000       3.238500       1.204600    
 H   -3.151800       2.312300       2.376300    
 H   -1.656600       1.644500       1.754200    
 H    1.928500      -2.732800     -0.3418000    
 H   -2.541000       1.886400     -0.5937000    
 H   -4.061400       2.539200      8.5500002E-02
 H   0.3455000      -3.200100       1.731600    
 H  -0.9762000      -3.211600      0.5289000    
 H   -3.569300      6.3999998E-03   1.281100    
 H  -0.6311000      -2.026200      -1.374200    
 H   -4.254300       1.462800      -1.996600    
 H   -5.052600      5.0200000E-02  -2.603900    
 H   -4.711600      -1.957400      0.3935000    
 H   -5.325800      -1.924300      -1.234700    
 H  -0.1032000      -6.585600      0.9627000    


%chk=000003186-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003186

1 1
O -0.701188 0.993779 -1.040197
O 1.980781 -2.707276 -1.301865
O -0.186144 -1.089034 1.110977
O 0.752968 -4.971701 -2.129560
O -1.471835 -5.364204 -1.573431
N 1.535419 -0.414010 -0.307906
N 0.218628 3.055679 -0.532201
N -3.044946 0.771243 0.395047
N -4.828324 0.040779 1.774087
N -2.830249 -1.199426 1.643325
C 2.874669 1.663964 -0.328156
C 1.523204 1.004850 0.052519
C 4.120909 1.025737 0.348952
C 0.266483 1.685454 -0.574311
C 5.400850 1.717211 -0.177405
C 4.047401 1.102704 1.892159
C -0.944843 3.826221 -1.026722
C -1.901602 4.299032 0.099800
C -2.476214 3.159535 0.974840
C 0.682859 -1.334756 0.203242
C 0.837307 -2.743248 -0.396053
C -3.442941 2.187858 0.222559
C -0.476569 -3.144869 -1.122298
C -0.504120 -4.586555 -1.600238
C -3.564392 -0.120778 1.266701
H 2.993843 1.637491 -1.430327
H 2.857070 2.734079 -0.037363
H 1.374094 1.069396 1.149967
H 4.168750 -0.044703 0.060988
H 2.172055 -0.772974 -1.033979
H 5.482015 1.643896 -1.277783
H 6.303253 1.252742 0.257778
H 5.413349 2.790218 0.094800
H 3.193680 0.533825 2.304750
H 4.964329 0.682096 2.341451
H 3.962918 2.153120 2.232918
H -0.569458 4.703601 -1.583129
H -1.471540 3.176029 -1.745415
H -2.722508 4.871002 -0.376628
H -1.368052 5.014015 0.755713
H 1.026567 3.571354 -0.177475
H -2.997159 3.601583 1.843742
H -1.637664 2.569439 1.389575
H 1.023624 -3.442373 0.445604
H -3.434320 2.392214 -0.862023
H -4.480608 2.340271 0.564686
H -1.343144 -3.001527 -0.456893
H -0.609779 -2.482242 -1.999745
H -2.156411 0.542209 -0.098220
H 1.994063 -3.561834 -1.814768
H -5.498134 0.669689 1.338705
H -5.133838 -0.488001 2.587828
H -1.792608 -1.224767 1.486474
H -3.283183 -1.998711 2.084308
H 0.723885 -5.910529 -2.458304


