%chk=000118689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118689

0 1
 S   0.8636000      0.3428000      0.7310000    
 F   0.3266000       1.830100      -1.319600    
 F  -0.2511000     -0.2509000      -1.536900    
 F   -2.286900       1.484600      -1.393500    
 F   -1.556200       2.321200      0.4736000    
 F   -1.941100     -4.6500001E-02   1.753900    
 F   -3.681800      0.7880000      0.7619000    
 F   -3.526700      -1.918400      0.6632000    
 F   -3.429800     -0.9722000      -1.299000    
 F   -1.634200      -1.829100     -0.4033000    
 O   0.3497000     -0.8721000       1.335800    
 O    1.060300       1.531900       1.538600    
 O    4.322000       1.731600      0.9604000    
 O    3.182800      -3.633500     -0.1546000    
 N    2.331800     -3.4299999E-02 -7.5599998E-02
 C  -0.2038000      0.7711000     -0.6434000    
 C   -1.619000       1.164300     -0.2456000    
 C   -2.480900      0.1812000      0.5307000    
 C    2.988800       1.009100     -0.8996000    
 C    2.489000      -1.391100     -0.6536000    
 C   -2.762600      -1.141600     -0.1380000    
 C    4.392200       1.260100     -0.3792000    
 C    3.067300      -2.326300      0.3928000    
 H    2.445900       1.953900     -0.8060000    
 H    2.994900      0.7423000      -1.961100    
 H    3.148000      -1.387600      -1.529700    
 H    1.529300      -1.770500      -1.020700    
 H    4.892800       2.024000     -0.9814000    
 H    5.003000      0.3519000     -0.3970000    
 H    2.448600      -2.385200       1.292500    
 H    4.065300      -1.996500      0.6989000    
 H    3.873600       1.047300       1.486300    
 H    2.288700      -3.929800     -0.3963000    


%chk=000118689-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118689

0 1
S 0.832497 -0.050813 0.806414
F 0.256925 0.626658 -1.893133
F -0.912465 -1.204645 -1.200553
F -2.482187 1.093832 -1.966123
F -1.339745 2.312370 -0.408087
F -2.248822 0.690987 1.649942
F -3.866095 1.637341 0.333931
F -4.745355 -0.740189 1.087926
F -4.000231 -1.036227 -1.033047
F -2.771865 -1.788017 0.726412
O 0.566442 -1.540611 1.375173
O 0.738386 1.280411 1.712752
O 4.789539 1.274922 1.318616
O 4.111134 -3.379786 -0.835365
N 2.489158 -0.073809 0.023285
C -0.560113 0.108904 -0.866890
C -1.806117 1.011780 -0.712001
C -2.874374 0.635015 0.383322
C 3.015516 1.238913 -0.430299
C 2.780266 -1.305023 -0.756623
C -3.605098 -0.757500 0.281121
C 4.527606 1.305203 -0.113432
C 3.758473 -2.234854 0.006288
H 2.502860 2.030999 0.144506
H 2.839325 1.393619 -1.513531
H 3.215277 -1.021637 -1.733283
H 1.848023 -1.866619 -0.960834
H 4.920421 2.271184 -0.473403
H 5.067470 0.491935 -0.644149
H 3.306939 -2.540320 0.970623
H 4.711378 -1.716892 0.201876
H 4.244415 0.550356 1.722809
H 3.380520 -4.047688 -0.818746


