%chk=000276172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276172

0 1
Cl 2.471961 4.140150 1.296952
S -5.335814 -2.640675 0.264854
F -5.777344 -2.840552 1.773315
O -3.117079 3.769281 -0.053456
O -6.565788 -2.325297 -0.398912
O -4.585276 -3.829849 -0.015293
N 3.163723 -0.689239 -0.345473
N 3.293560 -2.956159 0.719915
N 5.306364 -1.774155 -0.009797
N 5.265417 0.419551 -0.848075
N 5.439365 -3.735226 1.327446
N -1.730573 2.048841 0.609805
C 2.400756 -1.972606 0.102944
C 2.445720 0.552604 -0.440656
C 1.779280 -2.581622 -1.162343
C 1.344595 -1.577857 1.142862
C 4.578266 -0.720997 -0.391096
C 0.977287 2.957063 -0.625381
C 2.784095 1.642646 0.382435
C 1.387226 0.670112 -1.361350
C 0.167241 4.219026 -0.699794
C 2.047422 2.820048 0.272352
C 0.669728 1.861060 -1.448882
C 4.608090 -2.829615 0.658598
C -0.832563 4.343789 0.457426
C -2.015937 3.409413 0.298595
C -2.630018 0.956705 0.507989
C -2.094420 -0.345023 0.670632
C -4.006921 1.128413 0.259114
C -4.311655 -1.278117 0.361383
C -2.939306 -1.445218 0.599054
C -4.833541 0.013151 0.189332
H 1.263190 -3.520061 -0.908888
H 1.052997 -1.914401 -1.638743
H 2.542168 -2.837828 -1.907693
H 0.937504 -2.490405 1.610419
H 1.779246 -0.990529 1.961415
H 0.503120 -1.019028 0.713726
H 3.611625 1.566373 1.094151
H 1.130508 -0.178264 -2.003953
H 0.840559 5.106808 -0.692677
H -0.371368 4.285536 -1.670424
H -0.148517 1.941162 -2.168687
H -1.227336 5.386354 0.492047
H -0.327001 4.198634 1.435357
H 6.265921 0.296274 -0.994141
H 4.819540 0.995618 -1.549432
H 5.036961 -4.629885 1.574207
H 6.411708 -3.758236 1.050963
H -0.763379 1.812112 0.865603
H -1.023848 -0.494796 0.844974
H -4.423065 2.133923 0.118570
H -2.524598 -2.454626 0.720410
H -5.905294 0.148420 -0.009301


%chk=000276172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276172

0 1
Cl 2.398893 3.996156 1.820063
S -5.274404 -2.853472 0.574517
F -6.653602 -2.332830 1.711402
O -2.628900 3.452211 -0.970266
O -5.947799 -3.028314 -0.874128
O -4.524088 -4.057552 1.330682
N 3.157131 -0.682597 -0.404364
N 3.219347 -2.919906 0.665031
N 5.248660 -1.866842 -0.226715
N 5.215316 0.294115 -1.098146
N 5.359003 -3.770790 1.116662
N -1.956890 2.200399 0.901476
C 2.398327 -2.015605 -0.154276
C 2.486648 0.582161 -0.472659
C 2.103330 -2.683419 -1.525601
C 1.099260 -1.729612 0.623394
C 4.540271 -0.786191 -0.565955
C 1.102394 3.109740 -0.519936
C 2.730783 1.556916 0.533688
C 1.561525 0.883627 -1.506027
C 0.315473 4.408273 -0.528744
C 2.046994 2.782334 0.484962
C 0.883975 2.119935 -1.515685
C 4.534912 -2.844151 0.506164
C -0.885882 4.383535 0.471275
C -1.911130 3.325619 0.063798
C -2.753475 1.037834 0.775579
C -2.526506 -0.014150 1.710207
C -3.750171 0.893358 -0.232520
C -4.266039 -1.295031 0.655265
C -3.288452 -1.192690 1.661239
C -4.518278 -0.284916 -0.287944
H 1.646864 -3.672764 -1.350127
H 1.406608 -2.080325 -2.136297
H 3.041536 -2.832391 -2.089023
H 0.633623 -2.701776 0.852868
H 1.332000 -1.229601 1.579521
H 0.383684 -1.117830 0.048070
H 3.437859 1.338307 1.338788
H 1.380105 0.150754 -2.297468
H 0.965634 5.257908 -0.253563
H -0.083737 4.599490 -1.540099
H 0.165341 2.336793 -2.314484
H -1.391256 5.364867 0.433459
H -0.511914 4.233279 1.500485
H 6.227831 0.216657 -1.155512
H 4.730650 1.082131 -1.518968
H 4.944464 -4.530502 1.648375
H 6.365271 -3.656673 1.043376
H -1.291874 2.200468 1.679133
H -1.750720 0.089584 2.478028
H -3.907554 1.699714 -0.950163
H -3.119214 -2.009150 2.369443
H -5.287329 -0.414286 -1.055881


