%chk=000180796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180796

0 1
Cl 3.981389 1.562304 2.276567
S 5.311514 -0.988493 0.710660
F 5.835583 1.497952 0.096481
F 5.481261 0.273349 -1.574707
F -5.105690 0.089114 -2.536725
F -5.528923 0.047380 2.132450
F 8.058420 -0.428327 0.722615
F 8.316399 1.009032 -0.800439
O -1.302736 -1.767599 -0.642390
O -4.111358 -2.096849 -0.087002
N -0.566471 0.046168 0.618350
N -2.853968 -0.150108 0.019216
C 0.833349 -0.214729 0.607440
C 3.610010 -0.600350 0.654149
C 1.650648 0.661187 1.355895
C 1.407582 -1.277491 -0.117595
C 3.030525 0.455493 1.366484
C 2.786772 -1.456839 -0.094643
C 6.077469 0.260729 -0.365955
C -5.255526 0.010927 -0.196747
C -1.545509 -0.743499 -0.055836
C -4.070926 -0.898142 -0.099378
C -5.760541 0.436629 -1.435050
C -5.978032 0.414409 0.936642
C 7.579388 -0.084743 -0.495872
C -6.912149 1.218735 -1.557993
C -7.133372 1.195583 0.865360
C -7.595948 1.588920 -0.395510
H 1.222708 1.489366 1.919057
H 0.776530 -1.964083 -0.696311
H 3.229348 -2.278809 -0.667756
H -0.871605 0.827397 1.205180
H -2.927758 0.866903 0.118059
H 7.798538 -0.898176 -1.230209
H -7.276162 1.527707 -2.539290
H -7.670337 1.486287 1.769519
H -8.503218 2.194161 -0.472416


%chk=000180796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180796

0 1
Cl 3.758213 0.959700 3.144083
S 5.454016 -0.988971 1.017267
F 5.680599 1.616407 0.165571
F 5.373194 0.106207 -1.503503
F -6.203544 -0.941210 -2.386805
F -4.356760 1.381796 1.466160
F 8.241118 0.177944 0.745108
F 7.989666 1.286016 -1.251236
O -1.214219 -1.645138 -1.168640
O -4.112576 -1.982566 -0.905505
N -0.588357 -0.249157 0.629703
N -2.789368 -0.197585 -0.136443
C 0.814857 -0.448791 0.671052
C 3.639959 -0.725257 0.881194
C 1.528441 0.219525 1.702372
C 1.517095 -1.268918 -0.253227
C 2.922230 0.077225 1.799958
C 2.913310 -1.392744 -0.133411
C 6.020172 0.299259 -0.233179
C -5.212287 0.131712 -0.444929
C -1.496912 -0.790554 -0.299964
C -4.009982 -0.793985 -0.527966
C -6.301884 -0.019902 -1.346294
C -5.406144 1.135165 0.535572
C 7.540790 0.173251 -0.495925
C -7.483482 0.737420 -1.269364
C -6.560631 1.916046 0.669150
C -7.612218 1.704401 -0.250212
H 1.004784 0.853092 2.426485
H 0.971855 -1.798559 -1.034943
H 3.459493 -2.022554 -0.841290
H -0.979129 0.306398 1.394805
H -2.846890 0.727238 0.299161
H 7.789582 -0.752803 -1.042304
H -8.274518 0.564016 -2.003308
H -6.625450 2.659804 1.467032
H -8.527821 2.297568 -0.173928


