%chk=000180858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180858

0 1
Cl 3.820627 -2.035988 -1.945438
Cl 0.813762 -2.372013 -1.884467
S 5.197504 0.735598 -0.953539
F 4.954406 -1.444071 0.618545
F 6.448975 -1.524169 -0.858334
F 6.434159 0.879993 1.708674
F 7.173805 -1.068524 2.055158
F -5.175924 0.478940 2.542359
F -5.760826 -0.163206 -2.064854
O 5.496111 1.948314 -0.168313
O -1.399999 1.929619 0.226516
O -4.209403 2.240841 -0.244291
N -0.741165 -0.126573 -0.652817
N -3.008333 0.262113 -0.075406
C 3.462952 0.397406 -0.796975
C 0.660549 0.080076 -0.690397
C 5.906507 -0.687451 0.050376
C 2.872940 -0.761052 -1.292224
C 2.654307 1.390980 -0.227540
C 1.483840 -0.928561 -1.252663
C 1.272955 1.243014 -0.176863
C 6.959165 -0.181427 1.054191
C -1.685846 0.816843 -0.135678
C -5.405372 0.211396 0.223007
C -4.202394 1.058418 -0.046220
C -5.877632 -0.009199 1.526222
C -6.177132 -0.334381 -0.814496
C -7.043865 -0.728542 1.800349
C -7.348803 -1.060512 -0.591144
C -7.776972 -1.247108 0.728089
H 3.120140 2.298086 0.187959
H 0.659651 2.041693 0.265273
H 7.937129 0.102459 0.596756
H -1.094163 -0.994574 -1.071767
H -3.114251 -0.755643 -0.012479
H -7.381213 -0.876494 2.827676
H -7.924147 -1.466675 -1.424529
H -8.696142 -1.806323 0.922782


%chk=000180858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180858

0 1
Cl 3.799985 -2.619530 -2.031651
Cl 0.561764 -2.728636 -1.745655
S 5.437497 0.158004 -1.310409
F 5.138723 -1.725301 0.860333
F 7.284941 -1.206958 0.284961
F 4.722986 0.747232 1.960462
F 6.766964 -0.000932 2.707442
F -4.090709 -1.366491 1.604926
F -6.644094 1.643989 -1.228376
O 5.722314 1.772217 -1.021332
O -1.242907 2.027727 -0.148755
O -4.116106 2.284110 -0.294608
N -0.651970 -0.174510 -0.769318
N -2.864408 0.291037 -0.218247
C 3.562721 -0.000151 -1.093587
C 0.748035 -0.066286 -0.874898
C 5.998038 -0.678374 0.507806
C 2.878734 -1.177962 -1.439810
C 2.868104 1.144964 -0.674761
C 1.478429 -1.211447 -1.321336
C 1.468735 1.120758 -0.563376
C 6.054668 0.445853 1.558635
C -1.552488 0.835627 -0.363172
C -5.289894 0.220406 0.200402
C -4.057110 1.047698 -0.116717
C -5.319121 -0.895288 1.073577
C -6.561938 0.596139 -0.312501
C -6.479573 -1.580131 1.457164
C -7.759041 -0.055118 0.028990
C -7.713313 -1.143383 0.926307
H 3.446852 2.049609 -0.451677
H 0.911842 2.003847 -0.247964
H 6.524398 1.360338 1.158875
H -1.039244 -1.076645 -1.065712
H -2.943252 -0.712527 -0.030162
H -6.409156 -2.423035 2.149003
H -8.697966 0.292207 -0.409401
H -8.637536 -1.655755 1.208038


