%chk=000213980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213980

0 1
Cl -3.565712 -4.772871 0.204742
S -5.060697 1.268382 -0.005145
N 3.007872 -0.303398 0.006735
N 5.967377 -0.572747 0.161371
N -2.305177 0.200292 0.685939
C 3.811405 0.490729 0.986845
C 3.834990 -0.537273 -1.217984
C 4.013636 1.901268 0.388887
C 4.042613 0.829910 -1.908008
C 5.148841 -0.205678 1.361779
C 5.168865 -1.266934 -0.899877
C 4.697337 1.864540 -0.983941
C 2.446582 -1.567302 0.582888
C 1.208565 -1.245801 1.441564
C 7.114825 -1.437004 0.577037
C 0.049806 -0.726952 0.584663
C -1.098416 -0.205505 1.461890
C -3.265175 -0.786983 0.347095
C -2.319120 1.488773 0.065854
C -4.574281 -0.410743 -0.037872
C -3.541433 2.079651 -0.314022
C -2.959146 -2.164046 0.415848
C -1.127821 2.208900 -0.158882
C -5.537850 -1.356552 -0.374037
C -3.586184 3.344308 -0.896737
C -3.953634 -3.088262 0.101929
C -1.179378 3.485028 -0.721859
C -5.237138 -2.722372 -0.298770
C -2.399804 4.058489 -1.091499
H 3.209561 0.592810 1.928088
H 3.249120 -1.191781 -1.915205
H 4.605541 2.518544 1.088017
H 3.022273 2.386929 0.295038
H 3.054869 1.205396 -2.242297
H 4.655588 0.695617 -2.817180
H 5.768117 0.497076 1.961377
H 4.928835 -1.076517 2.015573
H 4.948615 -2.326324 -0.650063
H 5.803338 -1.278124 -1.813444
H 4.661624 2.864845 -1.451297
H 5.772665 1.616858 -0.854934
H 2.150554 -2.239148 -0.252574
H 3.182999 -2.133076 1.193263
H 1.475302 -0.496152 2.213578
H 0.903086 -2.157395 1.990031
H 7.734781 -0.883374 1.300285
H 7.749316 -1.634308 -0.301916
H 6.836552 -2.401185 1.026238
H 0.422327 0.087090 -0.080903
H -0.307691 -1.517519 -0.102314
H -1.406503 -0.973902 2.208265
H -0.763161 0.675852 2.057587
H -1.966263 -2.511195 0.697718
H -0.155591 1.772712 0.083419
H -6.536197 -1.042521 -0.688962
H -4.540655 3.780950 -1.196821
H -0.251508 4.035092 -0.882123
H -5.984969 -3.472244 -0.546149
H -2.427872 5.051545 -1.533430


%chk=000213980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213980

0 1
Cl -4.032667 -4.821369 0.390310
S -4.880428 1.519265 -0.275520
N 2.964353 -0.445429 0.223650
N 5.904843 -0.310773 0.016116
N -2.230187 0.103334 0.620616
C 3.764200 0.452516 1.112963
C 3.659427 -0.555330 -1.094346
C 3.699478 1.890512 0.535680
C 3.591799 0.828801 -1.791739
C 5.211326 -0.088621 1.308023
C 5.098080 -1.122425 -0.927188
C 4.189423 1.971726 -0.932298
C 2.514209 -1.717640 0.841754
C 1.193965 -1.518766 1.628371
C 7.261006 -0.854762 0.201828
C 0.024013 -1.143392 0.691665
C -1.120920 -0.426983 1.453396
C -3.300416 -0.768193 0.279687
C -2.060718 1.388281 0.013175
C -4.540522 -0.277849 -0.229059
C -3.163994 2.117591 -0.516400
C -3.175612 -2.177375 0.450667
C -0.776555 1.998900 -0.073129
C -5.579630 -1.155350 -0.591468
C -2.989186 3.369970 -1.136615
C -4.248261 -3.024926 0.124236
C -0.608581 3.273554 -0.656213
C -5.456862 -2.553070 -0.409509
C -1.708967 3.965283 -1.202809
H 3.284492 0.462876 2.111479
H 3.092748 -1.277582 -1.714498
H 4.290603 2.576338 1.173932
H 2.641200 2.216455 0.592724
H 2.522176 1.036432 -1.993161
H 4.109241 0.778685 -2.769894
H 5.801149 0.634875 1.903825
H 5.162046 -1.038117 1.907510
H 5.018746 -2.188651 -0.580042
H 5.613757 -1.137532 -1.907000
H 3.908560 2.951546 -1.366648
H 5.289374 1.895103 -0.948240
H 2.340108 -2.450332 0.028955
H 3.277776 -2.171123 1.515784
H 1.346734 -0.715556 2.379501
H 0.964905 -2.441361 2.199147
H 7.851796 -0.177017 0.844494
H 7.770073 -0.933396 -0.775822
H 7.265549 -1.870681 0.676145
H 0.426292 -0.480433 -0.094521
H -0.352819 -2.047888 0.177762
H -1.560491 -1.105015 2.208624
H -0.694940 0.426051 2.013376
H -2.252841 -2.618183 0.827550
H 0.109698 1.482167 0.300892
H -6.510041 -0.743666 -0.996227
H -3.862889 3.888321 -1.546505
H 0.394763 3.712296 -0.692861
H -6.271778 -3.233000 -0.667757
H -1.582206 4.947306 -1.669073


