%chk=000053858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053858

0 1
 S    1.455000       1.386100      0.4655000    
 F   -5.378700      0.6261000       1.608800    
 O    3.509200     -0.5947000       1.778400    
 O    3.478200      -2.752200       1.374400    
 N   0.2725000     -0.6770000     -0.8529000    
 N    1.363300      -2.508400     -0.2938000    
 N    3.004300      -1.594800       1.194200    
 N    3.184200       4.563700     -0.3995000    
 C  -0.7277000      0.1664000      -1.513400    
 C   0.3731000      -2.021000      -1.008000    
 C    1.240400     -0.2645000      1.6000000E-03
 C   -1.961300      0.2882000     -0.6843000    
 C    1.907800      -1.418700      0.3383000    
 C  -0.5331000      -2.799400      -1.877200    
 C   -2.076500       1.319300      0.2480000    
 C   -3.000500     -0.6289000     -0.8418000    
 C   -3.230900       1.433300       1.022700    
 C   -4.154800     -0.5149000     -6.7000002E-02
 C   -4.270000      0.5162000      0.8653000    
 C    2.614800       2.031300     -0.7899000    
 C    2.930700       3.444000     -0.5693000    
 H  -0.9470000     -0.2446000      -2.503300    
 H  -0.2844000       1.147100      -1.716900    
 H   -1.457600      -3.047300      -1.350600    
 H  -0.7641000      -2.306200      -2.823500    
 H  -5.5900000E-02  -3.751900      -2.135800    
 H   -1.302900       2.069200      0.3652000    
 H   -2.949600      -1.416200      -1.585800    
 H   -3.324800       2.240900       1.742600    
 H   -4.967600      -1.223800     -0.1951000    
 H    3.531800       1.434400     -0.7552000    
 H    2.169100       1.899000      -1.780800    


%chk=000053858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053858

0 1
S 1.535016 1.752931 0.062197
F -5.785028 0.305817 1.429821
O 3.950790 -0.051613 1.143291
O 3.602694 -2.241170 1.700724
N 0.240506 -0.570007 -0.841386
N 1.436868 -2.338138 -0.075642
N 3.270038 -1.162948 1.088391
N 3.547214 4.642947 -1.258511
C -0.851041 0.188896 -1.489355
C 0.333465 -1.969237 -0.758307
C 1.348806 -0.022611 -0.163580
C -2.155635 0.182121 -0.696306
C 2.055925 -1.153660 0.296509
C -0.658339 -2.909741 -1.363986
C -2.156693 0.370062 0.709268
C -3.389826 0.031137 -1.374992
C -3.368488 0.411422 1.430789
C -4.614374 0.075383 -0.672621
C -4.571990 0.264915 0.718898
C 3.193579 2.041702 -0.885983
C 3.385673 3.472548 -1.088510
H -1.013839 -0.231070 -2.497837
H -0.480440 1.224301 -1.611309
H -1.680736 -2.726045 -0.987895
H -0.685347 -2.830544 -2.467260
H -0.362953 -3.936254 -1.100443
H -1.211584 0.481536 1.252183
H -3.402235 -0.119716 -2.461003
H -3.387272 0.554324 2.514856
H -5.575605 -0.038456 -1.181465
H 3.977079 1.586950 -0.258815
H 3.120772 1.514920 -1.850820


