%chk=000201676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201676

0 1
Cl 5.732746 3.207854 -2.169436
S 4.098504 -1.450419 1.621612
N -1.566201 0.646558 0.284541
N 2.222919 -0.124689 -0.463751
C -4.477499 0.206979 -0.174738
C -5.214713 0.711488 1.090070
C -5.515692 -0.372685 -1.172678
C -3.667507 1.336737 -0.853815
C -3.489102 -0.927373 0.205857
C -6.341279 1.700497 0.765264
C -6.642598 0.615539 -1.497746
C -2.475187 1.803409 -0.006634
C -2.299314 -0.425415 1.036432
C -7.347847 1.098739 -0.223790
C -0.354839 1.090908 1.052589
C 0.655219 1.756348 0.102485
C 1.162759 0.793494 -0.980841
C 3.548748 0.364869 -0.384729
C 1.831995 -1.398014 0.046926
C 4.522328 -0.218429 0.458450
C 2.650567 -2.135861 0.923271
C 3.948124 1.448832 -1.203249
C 0.609633 -1.978020 -0.364733
C 5.846423 0.214288 0.458635
C 2.303030 -3.423645 1.333373
C 5.271301 1.876772 -1.163088
C 0.255973 -3.255136 0.062725
C 6.239918 1.282064 -0.355698
C 1.100423 -3.988924 0.904097
H -4.493975 1.184639 1.781970
H -5.634509 -0.155301 1.635037
H -5.953500 -1.294936 -0.745011
H -5.011545 -0.681561 -2.106463
H -4.325314 2.199143 -1.068020
H -3.297432 0.978372 -1.834380
H -3.104641 -1.396561 -0.721572
H -4.012282 -1.725727 0.761410
H -5.914506 2.631897 0.345550
H -6.858774 1.995009 1.697351
H -7.374414 0.135713 -2.174549
H -6.236744 1.481994 -2.054120
H -2.838309 2.306633 0.916068
H -1.891619 2.558987 -0.576799
H -1.589360 -1.266527 1.205768
H -2.646335 -0.089129 2.036995
H -7.881502 0.253993 0.252287
H -8.122057 1.845489 -0.478870
H -0.596735 1.786205 1.884556
H 0.122743 0.199015 1.519199
H 0.190444 2.633496 -0.391123
H 1.503176 2.154891 0.694880
H 1.565742 1.364196 -1.849361
H 0.306483 0.190302 -1.380674
H 3.234783 1.937306 -1.868597
H -0.072745 -1.413719 -1.010340
H 6.585970 -0.270242 1.101611
H 2.964777 -3.988470 1.993122
H -0.688762 -3.687494 -0.267696
H 7.268253 1.635274 -0.356400
H 0.822655 -4.990452 1.222269


%chk=000201676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201676

0 1
Cl 6.026203 3.108644 -1.268196
S 2.916386 -1.434711 2.080610
N -1.436578 1.003240 0.136799
N 1.995191 -0.194680 -0.562838
C -4.354329 0.270016 0.184600
C -5.038496 1.124787 1.298076
C -5.430290 -0.668989 -0.440191
C -3.699234 1.157292 -0.917541
C -3.221929 -0.610183 0.791516
C -6.297338 1.883447 0.810677
C -6.690791 0.074503 -0.944226
C -2.458032 1.925570 -0.418513
C -1.993012 0.196376 1.254699
C -7.330356 0.918116 0.184415
C -0.176921 1.697236 0.504283
C 0.725026 1.975370 -0.719790
C 1.143546 0.664066 -1.423894
C 3.249918 0.300435 -0.108258
C 1.709839 -1.594037 -0.458681
C 3.855150 -0.226060 1.068966
C 2.123778 -2.331521 0.685196
C 3.943250 1.318300 -0.820262
C 1.031696 -2.296277 -1.491674
C 5.114162 0.227209 1.505855
C 1.876450 -3.713441 0.796999
C 5.179197 1.781586 -0.338283
C 0.747348 -3.672994 -1.363795
C 5.792277 1.258197 0.813531
C 1.167978 -4.390613 -0.222276
H -4.320387 1.841549 1.739585
H -5.336176 0.438237 2.119325
H -5.739587 -1.405990 0.331903
H -4.973220 -1.249493 -1.267594
H -4.424661 1.883024 -1.330284
H -3.385461 0.499659 -1.753127
H -2.885548 -1.336307 0.023899
H -3.618667 -1.192290 1.647782
H -6.011610 2.650682 0.063028
H -6.752195 2.429553 1.660316
H -7.423879 -0.657920 -1.335538
H -6.425198 0.736380 -1.793225
H -2.760978 2.690166 0.344453
H -2.012560 2.483017 -1.263680
H -1.205286 -0.497867 1.602163
H -2.266351 0.843427 2.127727
H -7.714148 0.237427 0.973107
H -8.200868 1.482933 -0.202659
H -0.376753 2.658491 1.040801
H 0.380872 1.047256 1.204459
H 0.191068 2.600846 -1.461734
H 1.606620 2.556364 -0.391614
H 1.629820 0.873878 -2.399776
H 0.209110 0.112344 -1.615444
H 3.529447 1.735067 -1.740935
H 0.734100 -1.770355 -2.403221
H 5.562303 -0.208428 2.404601
H 2.224169 -4.251993 1.685009
H 0.211276 -4.186504 -2.169379
H 6.756081 1.635609 1.163558
H 0.957381 -5.460444 -0.125814


