%chk=000040896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040896

0 1
 S    2.161800      -1.350700      0.2854000    
 F    3.995800      0.4809000      0.1241000    
 F    3.914400     -0.8997000      -1.561900    
 F    2.398300      0.6518000      -1.355700    
 O    3.074800      -2.135700       1.095100    
 O    1.236400      -1.999000     -0.6222000    
 O   -2.710300      -2.462900      0.3936000    
 N    1.342700     -0.2427000       1.315000    
 N   -3.245400     -0.2556000     -0.2372000    
 C   0.2189000      0.4697000      0.7912000    
 C   0.2944000       1.840000      0.5412000    
 C   -1.994100       1.825200     -0.2324000    
 C   -2.069800      0.4550000      1.7400000E-02
 C  -0.9633000     -0.2229000      0.5293000    
 C  -0.8120000       2.517800      2.9500000E-02
 C    1.548800       2.604900      0.8133000    
 C   -3.164000       2.577500     -0.7792000    
 C    3.152700     -0.2327000     -0.6604000    
 C   -3.488000      -1.620900     -4.3499999E-02
 C   -4.892100      -1.999900     -0.4425000    
 H  -0.9634000      -1.277400      0.7642000    
 H  -0.7512000       3.585600     -0.1669000    
 H    1.931800      0.2778000       1.975700    
 H    1.980500       2.348300       1.785300    
 H    2.291500       2.451300      2.9300001E-02
 H    1.346300       3.681900      0.8552000    
 H   -4.015400       2.517100     -9.3300000E-02
 H   -2.935800       3.640400     -0.9163000    
 H   -3.452800       2.181700      -1.758600    
 H   -4.022400      0.2837000     -0.6096000    
 H   -5.611600      -1.456900      0.1766000    
 H   -5.040500      -3.074100     -0.3008000    
 H   -5.057600      -1.755500      -1.495600    


%chk=000040896-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040896

0 1
S 2.224848 -1.472632 0.160737
F 3.847026 0.850152 -0.594028
F 4.792922 -1.103131 -1.277395
F 3.020413 -0.240806 -2.416414
O 3.183375 -2.448155 1.021291
O 1.084724 -2.053795 -0.832402
O -2.894393 -2.362515 0.684237
N 1.254180 -0.185358 1.520018
N -3.294120 -0.242867 -0.248633
C 0.199916 0.544128 0.955129
C 0.256794 1.969985 0.739081
C -2.073643 1.872830 -0.116706
C -2.104362 0.453649 0.097574
C -0.977297 -0.198561 0.636656
C -0.897577 2.587387 0.221897
C 1.492624 2.778132 1.079705
C -3.272044 2.606794 -0.685221
C 3.587838 -0.422112 -1.158834
C -3.633997 -1.576336 0.029822
C -4.984446 -2.013808 -0.531926
H -1.002603 -1.272302 0.826757
H -0.888892 3.672496 0.064885
H 2.050635 0.407030 1.835018
H 1.709611 2.764656 2.165820
H 2.390837 2.399351 0.557123
H 1.361523 3.833168 0.788710
H -4.171818 2.480478 -0.050554
H -3.073245 3.687696 -0.760024
H -3.529806 2.255503 -1.705473
H -3.994484 0.296459 -0.759268
H -5.564193 -1.200135 -1.001945
H -5.583116 -2.456659 0.281666
H -4.817829 -2.806724 -1.282004


