%chk=000180808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180808

0 1
Cl 8.141369 1.668018 1.132212
S 5.267700 -0.643937 -1.119615
F 5.613532 0.309107 1.300530
F 5.417416 1.799675 -0.167079
F 7.984708 -0.610361 -0.060485
F -5.316301 -2.123427 -1.543157
F -4.886757 1.214197 1.721423
O -1.219306 1.182161 -2.097554
O -2.880668 -1.351113 0.714502
N -0.652957 -0.439564 -0.504705
N -2.930836 0.256487 -0.924502
C 1.493766 -1.376440 0.173841
C 2.901192 -1.433330 0.054202
C 0.769669 -0.469669 -0.643509
C 3.540505 -0.579665 -0.861655
C 1.433086 0.370427 -1.556777
C 2.817568 0.315700 -1.657551
C 0.804885 -2.266339 1.160736
C 3.674702 -2.383468 0.904397
C 5.953870 0.580458 0.028810
C -1.515918 0.380100 -1.233700
C 7.476311 0.645572 -0.166593
C -5.018933 -0.463080 0.086921
C -3.535121 -0.592804 0.024560
C -5.867791 -1.270996 -0.686585
C -5.649405 0.425456 0.972749
C -7.260589 -1.209476 -0.602672
C -7.037621 0.523052 1.091953
C -7.836447 -0.306118 0.297208
H 0.867980 1.069453 -2.184342
H 3.332261 0.975710 -2.361424
H 1.187805 -2.098007 2.179102
H -0.287191 -2.123152 1.217318
H 0.964372 -3.327645 0.916581
H 3.211572 -3.380526 0.935570
H 3.733698 -2.017362 1.942242
H 4.711724 -2.540938 0.570963
H -1.056151 -1.092078 0.215803
H 7.788233 1.059019 -1.158787
H -3.524245 0.884296 -1.490392
H -7.887683 -1.854288 -1.220646
H -7.491168 1.226273 1.792520
H -8.925137 -0.246980 0.379990


%chk=000180808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180808

0 1
Cl 8.134779 1.542060 1.696229
S 5.401524 -0.640909 -1.178367
F 5.716001 -0.302674 1.532748
F 5.258525 1.609535 0.393042
F 8.213903 -0.471255 -0.081849
F -5.059665 -2.889198 0.198169
F -5.068643 1.959851 -0.094578
O -1.199518 1.619956 -1.974387
O -2.768738 -1.387353 0.540411
N -0.636580 -0.251931 -0.621731
N -2.887970 0.454239 -0.890067
C 1.444784 -1.366828 -0.045989
C 2.863406 -1.489068 -0.138949
C 0.776988 -0.313743 -0.751612
C 3.567875 -0.534345 -0.929630
C 1.501188 0.616389 -1.539777
C 2.897438 0.498212 -1.619586
C 0.620486 -2.332153 0.792848
C 3.584343 -2.607479 0.593696
C 5.977047 0.373656 0.304203
C -1.489904 0.660006 -1.208497
C 7.472301 0.725077 0.166893
C -4.960493 -0.463169 0.077050
C -3.462315 -0.504796 -0.061818
C -5.710537 -1.657187 0.261435
C -5.731337 0.727067 0.101810
C -7.099114 -1.673592 0.473127
C -7.115069 0.771917 0.315577
C -7.799383 -0.448740 0.506167
H 0.971498 1.410694 -2.067186
H 3.472070 1.211761 -2.216354
H 1.248106 -3.079735 1.296146
H 0.051096 -1.804066 1.582753
H -0.117641 -2.884855 0.178987
H 3.177677 -3.597279 0.317056
H 3.481803 -2.497688 1.689159
H 4.659781 -2.605569 0.363660
H -1.113249 -0.953861 -0.023641
H 7.633429 1.425163 -0.665938
H -3.481580 1.177393 -1.307777
H -7.607290 -2.632459 0.602206
H -7.629404 1.735819 0.331715
H -8.879918 -0.444466 0.675052


