%chk=000256692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256692

0 1
Cl 2.411199 1.965799 -0.533437
S -1.454715 -1.432032 -0.431388
O -1.172358 -2.855857 -0.365438
O -0.846394 -0.653969 -1.497216
N -0.932078 -0.802369 1.091202
N 5.794964 -0.973445 -0.602688
N 4.928983 1.315320 -0.778583
N 7.255783 0.874451 -0.908014
C 0.255763 -1.443209 1.724701
C 1.603079 -0.800949 1.362205
C 2.019094 -1.033002 -0.097501
C -1.108071 0.601192 1.378264
C -3.150258 -1.152345 -0.410219
C 3.414331 -0.549674 -0.342297
C -1.574061 0.957788 2.657671
C -0.855149 1.592899 0.414210
C 4.531860 -1.427411 -0.380028
C -3.680951 0.003998 -0.996459
C -4.005833 -2.087960 0.182205
C 3.692180 0.812355 -0.552664
C -5.918651 -0.708137 -0.385054
C -5.056125 0.228190 -0.984973
C -5.383728 -1.869836 0.197322
C -1.796771 2.302720 2.957576
C -1.088679 2.932482 0.730150
C 4.396242 -2.899638 -0.186950
C -1.559470 3.291758 1.997129
C -7.389529 -0.460837 -0.377496
C 5.963764 0.390771 -0.778255
H 0.114698 -1.394093 2.829773
H 0.249560 -2.527908 1.455421
H 2.382484 -1.203908 2.039059
H 1.569928 0.289512 1.568284
H 1.919727 -2.106588 -0.359949
H 1.310922 -0.516988 -0.792005
H -1.764386 0.186852 3.401614
H -0.458751 1.324536 -0.572845
H -3.013647 0.733244 -1.471527
H -3.595379 -3.000527 0.629528
H -5.463527 1.128474 -1.441309
H -6.042501 -2.602643 0.659193
H -2.158527 2.581910 3.946418
H -0.891815 3.702481 -0.015751
H 3.794570 -3.352078 -0.991324
H 5.374650 -3.409766 -0.189467
H 3.904730 -3.135828 0.768375
H -1.734874 4.337937 2.237247
H -7.633486 0.498529 0.103676
H -7.791239 -0.416317 -1.401678
H -7.954776 -1.238312 0.153948
H 7.385420 1.826063 -1.220310
H 7.997996 0.219165 -1.104643


%chk=000256692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256692

0 1
Cl 2.976245 2.260991 -0.768710
S -1.365945 -1.107273 -0.524613
O -0.870757 -2.660792 -0.609251
O -0.926932 -0.040367 -1.686636
N -0.899466 -0.558674 1.263402
N 5.878815 -1.286669 -0.660710
N 5.391169 1.083026 -0.932289
N 7.582931 0.265999 -1.117286
C 0.368604 -1.196776 1.721059
C 1.735991 -0.592394 1.315326
C 2.097122 -0.756956 -0.191361
C -1.157972 0.840152 1.512540
C -3.242095 -1.061602 -0.420096
C 3.562176 -0.481312 -0.459788
C -2.179458 1.135875 2.454184
C -0.466516 1.901674 0.867179
C 4.550745 -1.524898 -0.446261
C -3.908064 0.038083 -0.984099
C -3.902939 -2.143501 0.180636
C 4.103577 0.801597 -0.714884
C -6.039684 -1.015538 -0.323599
C -5.318140 0.050133 -0.926032
C -5.314865 -2.107883 0.222505
C -2.480965 2.475877 2.779111
C -0.783908 3.239941 1.186873
C 4.169934 -2.969145 -0.203281
C -1.783049 3.531150 2.144936
C -7.556987 -0.989623 -0.285151
C 6.250952 0.011258 -0.897709
H 0.287882 -1.193326 2.826557
H 0.310973 -2.252253 1.391648
H 2.497609 -1.122638 1.923680
H 1.796618 0.473087 1.605269
H 1.846856 -1.785782 -0.508403
H 1.469081 -0.089724 -0.809232
H -2.713641 0.301756 2.920648
H 0.294876 1.687586 0.112678
H -3.338996 0.841167 -1.463134
H -3.336826 -2.989448 0.582586
H -5.864948 0.897016 -1.356831
H -5.858755 -2.940940 0.682031
H -3.260882 2.696023 3.516472
H -0.249271 4.054273 0.685747
H 3.543743 -3.359824 -1.027285
H 5.084721 -3.576801 -0.137695
H 3.587234 -3.087923 0.728031
H -2.020005 4.572202 2.391691
H -7.931006 -0.052904 0.167431
H -7.980508 -1.048447 -1.305505
H -7.964227 -1.834092 0.295844
H 7.883930 1.219350 -1.299484
H 8.241222 -0.507910 -1.103035


