%chk=000179315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179315

0 1
Cl 1.092942 4.863040 0.961470
S 1.835060 2.130343 1.928815
F -5.044550 -2.147559 1.844140
F -4.836364 -0.045849 2.002912
F -3.818606 -1.314694 3.349948
F -1.439359 -0.896236 -3.496041
F -3.233424 -1.960841 -3.160978
F -3.199232 0.146975 -2.965700
F -1.616067 2.644851 -1.370330
F 0.132377 2.651990 -2.574642
F -0.366640 4.353747 -1.418708
O 1.217344 -2.810848 1.327974
N 1.600707 -0.568568 1.387199
N 0.617538 1.077975 -0.127899
C 2.993820 -0.834802 1.882468
C -0.614823 -1.446600 0.610618
C 0.774329 -1.708624 1.093835
C 3.984482 -0.880567 0.746749
C -2.973313 -1.229198 1.087381
C -2.176835 -1.108771 -1.202638
C -0.859198 -1.288085 -0.761054
C -1.661006 -1.420249 1.539537
C 1.310181 0.724458 0.943434
C -3.234656 -1.075599 -0.282238
C 4.043319 -2.018882 -0.071534
C 4.846788 0.198095 0.509749
C -4.128521 -1.186750 2.050039
C -2.491385 -0.953755 -2.666639
C 0.461924 2.473826 -0.209342
C 1.057555 3.203763 0.786962
C 4.961084 -2.074495 -1.122709
C 5.764736 0.135938 -0.543296
C 5.822468 -0.997594 -1.359957
C -0.327041 3.012292 -1.369797
H 2.977936 -1.819985 2.420229
H 3.267146 -0.076822 2.648574
H -0.018098 -1.293333 -1.464506
H -1.442340 -1.551390 2.603950
H -4.263934 -0.930388 -0.632467
H 3.369978 -2.858959 0.116304
H 4.809728 1.085205 1.139212
H 5.005582 -2.958217 -1.758441
H 6.434732 0.974633 -0.728241
H 6.536934 -1.042269 -2.180843


%chk=000179315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179315

0 1
Cl 1.012758 4.525948 1.966892
S 1.695342 1.545782 2.319730
F -4.010515 -0.505068 2.923722
F -4.832277 0.796364 1.258728
F -2.893576 1.362687 2.302939
F -2.509316 -2.607510 -3.555197
F -3.978819 -3.679596 -2.205173
F -4.456177 -1.597741 -2.958935
F -1.391785 2.605789 -1.326268
F 0.631888 3.099984 -2.217314
F -0.322032 4.514493 -0.723689
O 1.145877 -3.058940 0.072898
N 1.545224 -0.949456 0.987372
N 0.748018 1.035058 -0.132627
C 2.870200 -1.413297 1.533158
C -0.737860 -1.553560 0.120636
C 0.701833 -1.913233 0.361635
C 4.054776 -0.992496 0.676516
C -2.852999 -0.529263 0.785365
C -2.727561 -1.817967 -1.269754
C -1.366962 -2.091528 -1.024939
C -1.489091 -0.785974 1.038195
C 1.304156 0.420904 0.892277
C -3.481180 -1.031395 -0.372224
C 4.230224 -1.549533 -0.616690
C 4.998152 -0.054684 1.162281
C -3.638707 0.270251 1.789309
C -3.402088 -2.407654 -2.480439
C 0.542392 2.398859 0.094867
C 0.991771 2.875826 1.318369
C 5.330824 -1.165847 -1.411762
C 6.103112 0.327057 0.367190
C 6.269668 -0.226314 -0.922252
C -0.120251 3.154496 -1.020899
H 2.789817 -2.511703 1.585366
H 2.965345 -1.018914 2.562367
H -0.784754 -2.707503 -1.716500
H -1.024609 -0.394428 1.948408
H -4.531562 -0.805435 -0.576133
H 3.507876 -2.285254 -0.989050
H 4.872802 0.376013 2.163691
H 5.460124 -1.599627 -2.409275
H 6.829007 1.052016 0.751339
H 7.124231 0.069594 -1.540631


