%chk=000216853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216853

0 1
Cl 0.956157 -2.854626 -0.990774
S 2.872370 0.779279 0.647061
P -2.219367 0.979366 -1.114882
O -3.750289 1.495929 -0.731923
O -2.102487 0.404606 -2.473845
O 1.926566 1.382564 -0.624966
O 1.912750 0.296499 1.614157
O 3.789275 1.820435 1.021028
N -1.769525 -0.123533 0.152735
N -1.319803 2.482393 -0.864038
C -2.077350 0.363916 1.527755
C -3.579759 0.683509 1.602536
C -3.981724 1.816783 0.660735
C -0.439817 -0.769272 -0.020567
C 0.033339 2.515251 -1.478162
C -0.637243 -2.015562 -0.888586
C 1.084425 2.523024 -0.350885
C 3.641943 -0.504279 -0.235604
C 3.879054 -1.732342 0.651115
C 4.490108 -2.883393 -0.143190
H -1.832165 -0.446645 2.254164
H -1.462579 1.242928 1.831765
H -3.853104 0.943891 2.643486
H -4.164303 -0.231522 1.356741
H -3.470514 2.768955 0.900100
H -5.079373 1.983347 0.664834
H -0.008866 -1.048749 0.974228
H 0.330438 -0.102659 -0.479678
H -1.838858 3.355764 -1.056108
H 0.160070 3.415428 -2.118593
H 0.243635 1.649372 -2.158689
H -1.367488 -2.721190 -0.453840
H -0.956685 -1.772370 -1.925003
H 0.622563 2.418562 0.650630
H 1.727827 3.420347 -0.380089
H 4.602328 -0.178838 -0.692910
H 3.028100 -0.813706 -1.119362
H 2.913944 -2.067139 1.097085
H 4.544813 -1.473593 1.500123
H 3.827784 -3.210689 -0.955836
H 5.452091 -2.611034 -0.591393
H 4.663118 -3.755604 0.499847


%chk=000216853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216853

0 1
Cl 0.362810 -3.593085 -1.298978
S 2.621817 1.011270 0.727308
P -1.967017 1.131337 -1.153352
O -3.529069 1.578330 -0.506539
O -1.898856 0.575608 -2.642805
O 1.643541 1.526565 -0.795797
O 1.577611 0.565386 1.887633
O 3.718874 2.155191 1.069626
N -1.430548 -0.080949 -0.023283
N -1.187898 2.679857 -0.945333
C -1.730402 0.070685 1.422321
C -3.237817 0.306677 1.651427
C -3.723926 1.595343 0.971491
C -0.391149 -1.036488 -0.450842
C 0.017534 3.074126 -1.685910
C -1.032214 -2.350480 -0.914742
C 1.319118 2.968891 -0.865992
C 3.417457 -0.548961 -0.109700
C 3.731927 -1.614613 0.938543
C 4.213490 -2.907183 0.233498
H -1.416022 -0.861120 1.924697
H -1.125557 0.890014 1.866517
H -3.437229 0.390090 2.738018
H -3.808730 -0.555645 1.261303
H -3.197010 2.476092 1.396564
H -4.810649 1.737088 1.089041
H 0.291047 -1.216847 0.399992
H 0.201016 -0.611392 -1.279296
H -1.783292 3.426702 -0.583071
H -0.085671 4.125295 -2.019806
H 0.109991 2.458062 -2.600259
H -1.643957 -2.830797 -0.136785
H -1.591454 -2.223558 -1.852238
H 1.166999 3.390294 0.145241
H 2.149131 3.502929 -1.366724
H 4.295355 -0.118807 -0.617550
H 2.648189 -0.857239 -0.834740
H 2.824989 -1.833156 1.531545
H 4.504962 -1.250470 1.639989
H 3.427231 -3.313879 -0.427656
H 5.121868 -2.729832 -0.370533
H 4.454910 -3.675924 0.988382


