%chk=000179320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179320

0 1
Cl -5.718788 -0.518635 2.324216
S -2.796339 -0.381344 1.675235
F 3.442145 -3.537637 -0.705384
F 4.798959 -2.244124 -1.687336
F 5.124133 -2.790509 0.335042
F 3.474966 3.456871 1.240326
F 5.117766 2.258717 1.822634
F 4.876302 2.820059 -0.207774
F -7.003948 0.244812 -0.083277
F -6.032334 1.698412 -1.273431
F -6.078079 -0.328041 -1.896882
O -0.661514 -0.466059 1.844284
N -1.013202 0.201416 -0.285533
N -3.415352 0.379427 -0.779072
N 0.237350 -1.625569 -2.917413
C 1.323552 -0.099107 0.526941
C 3.386245 -1.205705 -0.069085
C 3.402959 1.127347 0.604131
C 2.016002 1.090443 0.789214
C 1.997835 -1.253331 0.104657
C -0.143100 -0.153825 0.768887
C 4.091699 -0.018386 0.177444
C -2.390763 0.116069 0.010488
C -0.574521 0.523968 -1.666867
C 4.157967 -2.420307 -0.521267
C 4.189841 2.386720 0.862064
C -4.620415 0.188661 -0.071385
C -4.488159 -0.212778 1.234874
C -5.896164 0.444714 -0.816635
C -0.124563 -0.678724 -2.366377
H 1.466112 1.970717 1.140493
H 1.432917 -2.174945 -0.084004
H 5.180593 0.014006 0.038208
H 0.244557 1.288430 -1.635408
H -1.433961 0.994633 -2.232809


%chk=000179320-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179320

0 1
Cl -6.080023 0.357682 2.310413
S -3.016931 0.406295 1.945880
F 3.285619 -3.266523 -0.942601
F 3.774000 -1.813381 -2.611187
F 5.308122 -2.230717 -0.993754
F 3.950763 3.441754 1.582513
F 4.957206 1.826495 2.811974
F 5.764686 2.346112 0.759689
F -7.021688 0.027678 -0.533497
F -5.696146 0.924404 -2.142039
F -5.706028 -1.315086 -1.802515
O -0.383891 0.620882 2.079510
N -1.032421 0.162149 -0.100386
N -3.336351 0.037938 -0.686807
N -0.749331 -2.485117 -2.422125
C 1.414091 0.241467 0.528671
C 3.362623 -0.905178 -0.400096
C 3.662686 1.141296 0.873135
C 2.273278 1.219231 1.089400
C 1.964476 -0.835967 -0.204694
C -0.042283 0.346513 0.889195
C 4.219872 0.081549 0.124785
C -2.402961 0.180541 0.238817
C -0.748215 0.040859 -1.560032
C 3.929229 -2.040071 -1.216206
C 4.569644 2.174939 1.491740
C -4.627903 0.080204 -0.150545
C -4.684217 0.255037 1.222419
C -5.752836 -0.069874 -1.133035
C -0.756570 -1.358812 -2.032788
H 1.847217 2.025807 1.693552
H 1.331489 -1.641131 -0.592138
H 5.299729 0.022127 -0.037635
H 0.227940 0.504077 -1.776436
H -1.534177 0.593216 -2.103976


