%chk=000001613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001613

0 1
 S   -1.062100      -1.769600       1.534300    
 F   -6.795200     -0.2916000      -1.588300    
 F   -6.628900       1.355200     -0.1869000    
 F   -5.556400       1.427500      -2.077100    
 O    1.316400       2.643700       1.234700    
 O    4.138100      -3.968600      -1.123000    
 O    2.494100      -2.480500      -1.640200    
 N    1.650000      0.3715000       1.565700    
 N    2.338700     -0.7725000       1.289000    
 N   -1.542200      0.7595000       1.374800    
 C   0.5723000      0.2099000       2.527800    
 C    3.746800      0.4845000     -0.2546000    
 C    3.045400       1.651000      2.8400000E-02
 C    3.319000     -0.7395000      0.4436000    
 C    1.931100       1.607200      0.9918000    
 C  -0.6965000     -0.1308000       1.807300    
 C   -2.601600      0.1097000      0.7583000    
 C   -2.517200      -1.285800      0.7460000    
 C    4.047900      -2.034800      0.1734000    
 C    4.806000      0.5080000      -1.166600    
 C    3.397200       2.851800     -0.5984000    
 C   -3.722800      0.7260000      0.1613000    
 C   -4.717300     -6.2399998E-02 -0.4249000    
 C   -3.512300      -2.083900      0.1591000    
 C    5.156700       1.705800      -1.791700    
 C    4.453900       2.875400      -1.508400    
 C   -4.611400      -1.448900     -0.4248000    
 C   -5.901300      0.5923000      -1.054700    
 C    3.451500      -2.810000     -0.9557000    
 H   0.8507000     -0.5522000       3.265500    
 H   0.4329000       1.151000       3.072500    
 H    3.966200      -2.652400       1.077400    
 H    5.113500      -1.870500      9.9999997E-05
 H    5.371100     -0.3788000      -1.430600    
 H    2.862900       3.775200     -0.3929000    
 H   -3.806400       1.809600      0.1608000    
 H   -3.436100      -3.166900      0.1556000    
 H    5.977000       1.725600      -2.503600    
 H    4.728500       3.805500      -1.997200    
 H   -5.382400      -2.066200     -0.8794000    
 H    3.774000      -4.506900      -1.857900    


%chk=000001613-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001613

0 1
S -0.755970 -0.950827 -0.136304
F -7.548750 -0.873145 -0.260083
F -7.129373 0.842087 1.170462
F -7.099187 1.189317 -1.069780
O 1.206468 2.650997 0.697791
O 5.043638 -3.952155 -0.623457
O 3.255197 -2.770584 -1.523791
N 1.645094 0.450207 1.346486
N 2.375159 -0.731010 1.355886
N -2.023713 0.594747 1.682511
C 0.421464 0.424685 2.166843
C 3.968420 0.332453 -0.177795
C 3.205275 1.544229 -0.166992
C 3.487160 -0.789177 0.621348
C 1.961468 1.636206 0.623540
C -0.830937 0.152049 1.367283
C -3.014804 0.135443 0.792366
C -2.538388 -0.706520 -0.267416
C 4.213744 -2.114505 0.677869
C 5.161017 0.280499 -0.956088
C 3.628250 2.668328 -0.919345
C -4.386320 0.454542 0.878920
C -5.260776 -0.074037 -0.088603
C -3.419126 -1.229832 -1.236720
C 5.572262 1.400217 -1.697683
C 4.806440 2.598553 -1.681010
C -4.785954 -0.908355 -1.140424
C -6.722008 0.264291 -0.051917
C 4.084967 -2.927182 -0.606940
H 0.562917 -0.361993 2.927157
H 0.289615 1.401654 2.659627
H 3.771735 -2.718755 1.491088
H 5.286131 -1.997908 0.914889
H 5.760156 -0.635556 -0.982669
H 3.013449 3.573297 -0.885638
H -4.743536 1.095415 1.688592
H -3.060626 -1.871468 -2.046066
H 6.488916 1.350567 -2.295114
H 5.136729 3.464399 -2.264086
H -5.491247 -1.309036 -1.874885
H 4.916844 -4.509040 -1.439349


