%chk=000047491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047491

0 1
 Cl  -3.651300      -2.374900      0.9345000    
 S   -2.587100     -0.5975000      -1.550600    
 O   -3.385300      -1.742800      -1.960500    
 O   -2.325900      0.4777000      -2.494600    
 O   8.6800002E-02  0.8439000     -0.9990000    
 O    4.325400       2.276700     -8.0100000E-02
 N   -1.095400      -1.155400     -0.9200000    
 N    1.145200      -1.110400     -0.2828000    
 N    3.309000      -1.615300      0.4437000    
 N    2.714400      0.6199000     -0.1950000    
 N    4.945300      0.1369000      0.5450000    
 C   -3.321300      0.1202000     -0.1306000    
 C   -3.777000     -0.6525000      0.9375000    
 C   -3.443700       1.509100     -8.8799998E-02
 C   -4.355300     -3.6499999E-02   2.047300    
 C   -4.021600       2.125500       1.021300    
 C   8.2500003E-02 -0.3548000     -0.7475000    
 C   -4.477500       1.352600       2.089300    
 C    2.460800     -0.6785000      4.4000000E-03
 C    4.537100      -1.133600      0.6944000    
 C    3.981100      0.9569000      9.6900001E-02
 C    5.550400      -2.108700       1.189400    
 C    3.303400       3.141600     -0.5542000    
 H   -1.025400      -2.160500     -0.7164000    
 H   -3.097800       2.143900     -0.8989000    
 H   -4.716100     -0.6236000       2.888100    
 H   -4.116000       3.206900       1.054700    
 H   -4.927400       1.832500       2.953500    
 H   0.9802000      -2.100200     -0.1222000    
 H    5.510000      -2.160800       2.281400    
 H    5.359700      -3.106900      0.7831000    
 H    6.559300      -1.808000      0.8897000    
 H    2.468500       3.190000      0.1531000    
 H    2.955900       2.834200      -1.546400    
 H    3.726700       4.146600     -0.6431000    


%chk=000047491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047491

0 1
Cl -3.165881 -1.584461 2.163902
S -2.763447 -1.326365 -1.228045
O -3.545258 -2.707421 -0.914293
O -2.708549 -0.744613 -2.733829
O -0.226499 0.449639 -0.842361
O 3.891071 2.195817 1.041226
N -1.061174 -1.723570 -0.642551
N 1.233821 -1.406590 -0.495420
N 3.525096 -1.662969 -0.242588
N 2.485883 0.466609 0.303906
N 4.893896 0.175034 0.553504
C -3.303115 0.106838 -0.101213
C -3.502970 -0.037505 1.281976
C -3.528984 1.322240 -0.768891
C -3.957707 1.072156 2.025475
C -3.986967 2.428435 -0.022778
C -0.025595 -0.774724 -0.670428
C -4.202659 2.298788 1.368550
C 2.448007 -0.818617 -0.133166
C 4.729026 -1.114158 0.124109
C 3.739864 0.905333 0.618278
C 5.947271 -1.992634 0.068002
C 2.661728 3.028461 1.105039
H -0.975183 -2.693486 -0.319689
H -3.334093 1.383034 -1.844497
H -4.112816 0.969637 3.103349
H -4.166946 3.383236 -0.525340
H -4.558108 3.154384 1.951830
H 1.332129 -2.396364 -0.740639
H 6.089935 -2.496879 1.042789
H 5.826852 -2.771694 -0.700476
H 6.844249 -1.385396 -0.127553
H 1.979937 2.639442 1.879154
H 2.140794 3.023491 0.134232
H 3.033993 4.029074 1.365037


