%chk=000179316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179316

0 1
Cl 5.731962 2.248282 -1.358588
S 2.804241 1.635569 -1.156943
F -3.576530 1.156256 -4.223936
F -5.046707 -0.091708 -3.359539
F -5.116767 2.003616 -3.048347
F -3.363969 0.080149 2.952270
F -5.012277 1.128601 2.145757
F -4.831570 -0.961186 1.842738
F 6.978981 0.190459 0.137439
F 5.941625 -0.557925 1.820480
F 6.086051 -1.724201 0.055936
O 0.719633 1.786315 -1.349170
N 0.989963 -0.098804 -0.126529
N 3.388471 -0.485832 0.311140
C -1.318142 0.721224 -0.682667
C 0.160128 0.851833 -0.751290
C -3.443760 0.806049 -1.836431
C -3.371408 0.422366 0.559538
C -1.973311 0.496526 0.536160
C -2.047266 0.892009 -1.870152
C 0.515347 -1.312687 0.523608
C -4.109771 0.572533 -0.623727
C 2.375005 0.175178 -0.212136
C -4.265062 0.966871 -3.089023
C -4.115748 0.175275 1.845664
C 0.863637 -1.555226 1.860059
C -0.275567 -2.214589 -0.205379
C 4.600727 0.150426 -0.030129
C 4.486220 1.280265 -0.800554
C 0.390434 -2.716474 2.477283
C -0.742549 -3.365709 0.433275
C -0.415168 -3.615415 1.770814
C 5.862559 -0.473128 0.483885
H -1.385036 0.381546 1.454742
H -1.508208 1.096533 -2.804281
H -5.205502 0.509659 -0.600833
H 1.518346 -0.867876 2.400174
H -0.511363 -2.033251 -1.252472
H 0.659236 -2.922112 3.514790
H -1.358289 -4.076999 -0.118634
H -0.781195 -4.518217 2.260507


%chk=000179316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179316

0 1
Cl 6.150538 1.981013 -1.395261
S 3.083577 1.634960 -1.457123
F -3.821253 1.724376 -4.054535
F -5.107845 -0.039731 -3.440973
F -5.585289 2.028869 -2.655677
F -3.240748 0.482641 2.997828
F -5.309034 0.530855 2.056792
F -4.121924 -1.398799 2.095415
F 6.962533 -0.183619 0.534507
F 5.489289 -0.582831 2.212433
F 5.687250 -2.058312 0.505599
O 0.504014 1.736263 -1.814106
N 1.005636 0.038459 -0.303706
N 3.287706 -0.385888 0.294135
C -1.392679 0.677995 -0.790597
C 0.086382 0.848135 -1.006028
C -3.621515 0.911111 -1.773547
C -3.390878 0.355260 0.579135
C -1.983997 0.383152 0.459329
C -2.221126 0.960336 -1.905251
C 0.605510 -1.187931 0.392719
C -4.221089 0.604932 -0.531641
C 2.392486 0.306572 -0.386726
C -4.510376 1.160016 -2.963975
C -4.006870 0.007216 1.908627
C 0.820306 -1.315403 1.782055
C 0.016923 -2.230673 -0.355746
C 4.595114 0.052599 0.060163
C 4.710289 1.111301 -0.825561
C 0.410043 -2.497796 2.433857
C -0.396655 -3.407315 0.307030
C -0.205286 -3.540500 1.701306
C 5.672248 -0.675199 0.808619
H -1.367120 0.196416 1.341089
H -1.758144 1.237313 -2.856672
H -5.309926 0.584822 -0.426261
H 1.312485 -0.512651 2.338131
H -0.111146 -2.125612 -1.438370
H 0.573279 -2.604984 3.510932
H -0.860057 -4.217173 -0.265600
H -0.525248 -4.453992 2.213153


