%chk=000001087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001087

0 1
 O    2.542100       3.014400     -0.9204000    
 O    2.311400       2.190200       1.179000    
 O   -5.444300      -1.892900      -1.030000    
 O   -5.875000      0.3040000      -1.382100    
 O    5.962500      -1.821400       1.229700    
 O    5.833300      -1.602300      -1.028100    
 N    1.146900     -8.9100003E-02  5.1700000E-02
 N   -5.424500       1.030800       1.133100    
 C   -1.215300     -0.4471000      0.6026000    
 C   -2.650800      6.9999998E-04  0.3157000    
 C  -0.2135000      0.3553000     -0.2276000    
 C    2.112800      0.6747000     -0.7251000    
 C   -3.704900     -0.7523000       1.138600    
 C    3.430000     -9.2799999E-02 -0.9276000    
 C   -5.157100     -0.3738000      0.8207000    
 C    4.154900     -0.5389000      0.3452000    
 C    2.326800       2.008500     -3.1700000E-02
 C   -5.522800     -0.5992000     -0.6318000    
 C    5.387700      -1.368900      8.8000000E-02
 H   -1.117700      -1.516600      0.3784000    
 H   -1.000500     -0.3192000       1.670900    
 H   -2.734000       1.075800      0.5163000    
 H   -2.851800     -0.1380000     -0.7533000    
 H  -0.3294000       1.419100      1.1100000E-02
 H  -0.4454000      0.2235000      -1.291800    
 H    1.706700      0.8726000      -1.726600    
 H   -3.575200      -1.828400      0.9657000    
 H   -3.511100     -0.5873000       2.206400    
 H    1.221400      -1.079000     -0.1832000    
 H    3.228000     -0.9774000      -1.547100    
 H    4.115800      0.5328000      -1.514600    
 H   -5.833100     -0.9878000       1.427600    
 H    3.482300      -1.145100      0.9621000    
 H    4.463200      0.3391000      0.9228000    
 H   -6.420600       1.221400       1.029100    
 H   -5.201600       1.211300       2.111200    
 H    2.679200       3.875500     -0.4710000    
 H   -5.694000      -2.001900      -1.972400    
 H    6.766000      -2.354200       1.048900    


%chk=000001087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001087

0 1
O 3.088207 2.916040 -1.247791
O 1.952362 2.479724 0.728972
O -5.554437 -1.539394 -1.149329
O -6.227124 0.653965 -0.808771
O 5.860037 -1.289869 1.690242
O 5.123382 -2.398108 -0.209433
N 1.161087 -0.089174 -0.328542
N -5.216011 0.692662 1.751914
C -1.188641 -0.563449 0.322317
C -2.663838 -0.116854 0.230690
C -0.231231 0.411667 -0.388702
C 2.185593 0.698609 -1.022717
C -3.617462 -1.085260 0.956751
C 3.548491 -0.054247 -0.979520
C -5.091663 -0.570648 1.025375
C 4.054940 -0.268187 0.463530
C 2.353642 2.082250 -0.382727
C -5.677756 -0.382740 -0.372632
C 5.032549 -1.416790 0.564190
H -1.081230 -1.577301 -0.122023
H -0.882026 -0.647230 1.383089
H -2.785737 0.889565 0.675369
H -2.957207 -0.036297 -0.836972
H -0.268156 1.392612 0.119019
H -0.577727 0.568745 -1.442044
H 1.948369 0.891289 -2.098064
H -3.611308 -2.079009 0.469322
H -3.275668 -1.224899 2.001588
H 1.220727 -1.080091 -0.600247
H 3.415787 -1.039693 -1.465855
H 4.288709 0.505382 -1.576626
H -5.693502 -1.393251 1.481978
H 3.184100 -0.499436 1.112157
H 4.520581 0.638097 0.887149
H -5.800684 1.401123 1.303765
H -5.297917 0.625830 2.764919
H 3.214931 3.802530 -0.812869
H -5.963308 -1.376979 -2.042171
H 6.457540 -2.085081 1.745099


