%chk=000215022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215022

0 1
Cl 6.503047 -1.227056 -0.898819
Cl 5.965270 1.148608 -2.836979
S 0.919024 -0.800173 1.268100
O 0.010667 1.659546 0.874435
N -4.656703 0.607581 -1.424440
N -1.393944 -0.083817 0.218570
C -3.972218 -2.268156 0.173750
C -3.575601 -1.543070 -1.120776
C -3.828186 -3.788738 0.028013
C -3.577013 -0.048472 -0.934970
C -2.513212 0.654618 -0.287243
C -4.220100 -4.514015 1.312732
C -2.602815 2.050134 -0.166272
C -3.723224 2.709689 -0.675188
C -4.729465 1.958400 -1.296943
C 2.321843 0.211210 1.836942
C 3.232440 0.435465 0.678246
C -0.245772 0.486741 0.744677
C 4.325313 -0.417790 0.461930
C 2.992643 1.506966 -0.201402
C 5.164837 -0.187804 -0.630353
C 3.834656 1.730626 -1.290557
C 4.924424 0.879264 -1.502785
H -5.021197 -2.010655 0.428998
H -3.369154 -1.909811 1.029169
H -2.589875 -1.887786 -1.491402
H -4.295053 -1.816861 -1.928465
H -2.787296 -4.049739 -0.245558
H -4.459237 -4.147385 -0.809871
H -5.260655 -4.309200 1.591495
H -3.590341 -4.214259 2.158102
H -4.121106 -5.599940 1.199945
H -1.803311 2.622176 0.319889
H -1.474222 -1.107812 0.161667
H -3.809822 3.791263 -0.589584
H -5.626824 2.429653 -1.713451
H 1.949872 1.172034 2.264548
H 2.803957 -0.336705 2.672736
H 4.522185 -1.256049 1.130940
H 2.132396 2.164571 -0.032476
H 3.648274 2.560950 -1.974050


%chk=000215022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215022

0 1
Cl 6.840034 -1.301142 -0.652602
Cl 6.444985 1.190356 -2.770744
S 0.870692 -0.861522 1.171463
O -0.044806 1.743957 0.887662
N -4.826367 0.583250 -1.333486
N -1.453360 0.014706 0.115504
C -3.984127 -2.311089 0.227234
C -3.627580 -1.536635 -1.075236
C -3.950769 -3.843336 0.028856
C -3.681257 -0.026650 -0.909011
C -2.612668 0.723471 -0.315090
C -4.314095 -4.617457 1.314050
C -2.747486 2.128776 -0.179248
C -3.939537 2.737699 -0.623206
C -4.951774 1.934073 -1.189177
C 2.343450 0.230958 1.716461
C 3.353400 0.457757 0.619689
C -0.304962 0.530304 0.687827
C 4.477930 -0.393950 0.490884
C 3.194621 1.531073 -0.295891
C 5.420001 -0.181337 -0.534982
C 4.138239 1.742756 -1.320870
C 5.253177 0.885821 -1.442754
H -4.995547 -1.999147 0.551838
H -3.295753 -2.032483 1.052808
H -2.638119 -1.872225 -1.454063
H -4.364347 -1.798698 -1.853990
H -2.941674 -4.149369 -0.316837
H -4.654008 -4.118286 -0.782879
H -5.328787 -4.350016 1.663552
H -3.605726 -4.386659 2.131935
H -4.291409 -5.709639 1.146250
H -1.938056 2.714377 0.260093
H -1.478664 -0.999928 -0.014704
H -4.076597 3.819622 -0.531212
H -5.891709 2.368942 -1.546098
H 1.869753 1.172203 2.042099
H 2.762625 -0.301159 2.583993
H 4.625952 -1.228641 1.183858
H 2.327654 2.193489 -0.203713
H 4.021173 2.569980 -2.026962


