%chk=000179314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179314

0 1
Cl -5.619509 -2.126677 -1.043295
S -2.704261 -1.580185 -0.595258
F 5.503332 1.544095 -1.026070
F 4.100346 2.766350 -0.021099
F 3.735433 2.139007 -2.011479
F 5.023883 -2.425943 2.436534
F 5.131831 -3.394688 0.555027
F 3.549439 -3.835565 1.886338
F -6.942635 -0.018439 0.313423
F -6.047662 0.691214 2.092681
F -5.987334 1.867440 0.330787
O 0.491120 2.838457 -0.049961
O -0.625942 -1.732258 -0.660907
N -0.954824 0.107011 0.605376
N -3.365655 0.560500 0.814748
C -0.549518 1.300617 1.396305
C 1.380375 -0.679512 0.109119
C -0.093215 -0.800510 -0.027776
C 3.460866 0.484662 -0.298216
C 3.474075 -1.690071 0.776552
C 2.080328 -1.756012 0.677482
C 2.061258 0.439746 -0.383750
C -2.327886 -0.134591 0.385687
C -0.770202 2.606776 0.625399
C 4.169296 -0.571613 0.287391
C 4.184686 1.694911 -0.825921
C 4.264290 -2.811421 1.397468
C -4.558313 -0.050428 0.372393
C -4.403136 -1.187599 -0.380066
C -5.844276 0.607110 0.769402
C 0.504985 4.043658 -0.841074
H 0.521249 1.210397 1.695560
H -1.157960 1.314560 2.336658
H 1.523242 -2.632371 1.030234
H 1.491107 1.280950 -0.821813
H -0.968651 3.448603 1.314369
H -1.586184 2.544361 -0.117978
H 5.262771 -0.534090 0.367844
H 1.530710 4.069139 -1.230125
H 0.313416 4.918269 -0.212003
H -0.221078 3.973537 -1.656583


%chk=000179314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179314

0 1
Cl -5.992777 -2.012472 -0.880919
S -2.923693 -1.774967 -0.606598
F 5.639430 1.747624 -0.453595
F 4.031326 2.844249 0.710465
F 3.751499 2.453374 -1.501086
F 4.749848 -2.861030 2.600942
F 5.717207 -3.031961 0.560785
F 3.797548 -4.163249 1.009298
F -6.918832 0.493631 0.526959
F -5.624750 1.186461 2.255989
F -5.550643 2.286694 0.278180
O 0.117127 2.617027 -0.568379
O -0.351445 -2.038955 -0.521834
N -0.931122 -0.019873 0.463638
N -3.236166 0.546582 0.697450
C -0.633139 1.205111 1.272349
C 1.502292 -0.720104 0.225712
C 0.029148 -0.953671 0.024585
C 3.568432 0.562537 0.014538
C 3.661816 -1.754121 0.731173
C 2.262032 -1.851990 0.617885
C 2.159723 0.491131 -0.090516
C -2.298908 -0.280825 0.257048
C -0.851786 2.526928 0.523660
C 4.330055 -0.544820 0.433188
C 4.242109 1.870474 -0.306214
C 4.463241 -2.936142 1.208266
C -4.527711 0.101497 0.395253
C -4.588642 -1.096199 -0.296375
C -5.644551 0.990519 0.851874
C -0.027169 3.837803 -1.366948
H 0.401820 1.130444 1.636510
H -1.313679 1.197351 2.141301
H 1.753901 -2.802163 0.806206
H 1.580417 1.360072 -0.435084
H -0.697348 3.358214 1.246350
H -1.886583 2.586008 0.136326
H 5.419536 -0.477932 0.502664
H 0.757317 3.794524 -2.137572
H 0.117688 4.742027 -0.741708
H -1.024768 3.879588 -1.848363


