%chk=000015556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015556

0 1
 O    2.700800     -0.9424000      -2.383200    
 O   -1.173400       2.319300     -0.3635000    
 O   -1.488800      -2.313900      0.8087000    
 O   -2.625300      0.2096000      0.6913000    
 O   -4.840000      0.2601000      0.2955000    
 O   -3.427000     -0.2765000      -1.444800    
 N    3.656600     -0.4684000     -0.3025000    
 C    5.640800      0.9689000       1.224300    
 C    5.880000      0.5856000     -0.2364000    
 C    4.147300       1.108100       1.519900    
 C    5.079200     -0.6568000     -0.6170000    
 C    3.378500     -0.1411000       1.096200    
 C    2.597400     -0.6245000      -1.199300    
 C    1.232600     -0.4060000     -0.7039000    
 C   0.5092000      -1.471900     -0.1750000    
 C   0.6677000      0.8652000     -0.7669000    
 C  -0.6296000       1.071900     -0.2979000    
 C  -0.7881000      -1.265100      0.2940000    
 C   -1.357500      6.8000001E-03  0.2326000    
 C  -0.9724000       3.173800      0.7606000    
 C   -1.363700      -2.551800       2.209300    
 C   -3.623700      3.2800000E-02 -0.2764000    
 C   -5.967900      0.1164000     -0.5738000    
 C   -7.232600      0.4002000      0.2082000    
 H    6.153900       1.910000       1.450700    
 H    6.072200      0.2011000       1.878200    
 H    6.947500      0.4089000     -0.4068000    
 H    5.581400       1.422700     -0.8797000    
 H    3.753400       1.978300      0.9801000    
 H    3.997400       1.293800       2.589200    
 H    5.189200     -0.8681000      -1.685500    
 H    5.429100      -1.534200     -6.1400000E-02
 H    3.707500      -1.000700       1.693800    
 H    2.325300      9.3000000E-03   1.331600    
 H   0.9502000      -2.464700     -0.1269000    
 H    1.233000       1.697100      -1.180100    
 H   -1.412900       2.735200       1.661500    
 H   -1.466700       4.127800      0.5584000    
 H   9.5399998E-02   3.358400      0.9158000    
 H   -1.983200      -3.415200       2.466900    
 H  -0.3243000      -2.776500       2.468600    
 H   -1.714900      -1.686300       2.780000    
 H   -5.997600     -0.9058000     -0.9675000    
 H   -5.880300      0.8242000      -1.405600    
 H   -8.116600      0.2991000     -0.4276000    
 H   -7.325000     -0.2885000       1.054600    
 H   -7.209700       1.413100      0.6236000    


%chk=000015556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015556

0 1
O 2.921062 -2.029387 -1.494671
O -0.761979 2.223847 0.314870
O -1.756394 -2.611736 0.613580
O -2.660563 0.093287 0.821870
O -4.790639 0.312841 0.223603
O -3.217550 -0.092335 -1.476417
N 3.872104 -0.441471 -0.077009
C 5.996315 1.504740 0.418264
C 5.926060 0.689700 -0.894664
C 4.585956 1.676031 1.031278
C 5.211308 -0.662227 -0.675143
C 3.900690 0.301934 1.204216
C 2.780285 -1.133236 -0.599357
C 1.392712 -0.771201 -0.118152
C 0.477449 -1.825306 0.110905
C 0.963922 0.573447 -0.005273
C -0.377145 0.872239 0.322206
C -0.857751 -1.541187 0.459125
C -1.288524 -0.190903 0.539366
C -1.435195 2.741220 1.528185
C -2.410902 -2.727691 1.937398
C -3.533149 0.081920 -0.289372
C -5.885215 0.348855 -0.803398
C -7.180460 0.608076 -0.044831
H 6.460951 2.491879 0.236784
H 6.645133 0.971531 1.144232
H 6.943000 0.500437 -1.288155
H 5.376340 1.265671 -1.664192
H 3.966046 2.313509 0.370268
H 4.647409 2.179268 2.015293
H 5.068023 -1.217194 -1.615663
H 5.815267 -1.300851 0.005430
H 4.479802 -0.298221 1.941211
H 2.878407 0.407585 1.595670
H 0.788906 -2.865857 -0.011820
H 1.638077 1.409988 -0.211292
H -2.369306 2.193800 1.737830
H -1.651014 3.796217 1.302352
H -0.754207 2.674289 2.398439
H -3.092238 -3.586542 1.844411
H -1.653199 -2.931451 2.718111
H -2.978968 -1.814772 2.187783
H -5.887974 -0.619412 -1.335099
H -5.648621 1.147093 -1.529540
H -8.025043 0.643545 -0.756655
H -7.376637 -0.193243 0.687455
H -7.138154 1.570575 0.492471


