%chk=000036256.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036256

0 1
 Cl   3.944300      -2.643800       1.445800    
 S  -0.6348000       2.133400      -1.731000    
 O   -2.954000      -3.197000      -1.601300    
 O   -3.897600       3.343800      0.9121000    
 O   -2.189700       3.758600     -0.4034000    
 O   -5.356800      -1.070000       1.774800    
 O   -4.349400      -2.799600      0.8733000    
 N    4.568100      0.2319000      0.5283000    
 N   -2.972300       2.959300      0.1603000    
 N   -4.465700      -1.563300       1.044100    
 N   -1.549500      -3.316900      0.2076000    
 C    5.311200     -0.8401000     -9.2600003E-02
 C    5.107600      0.8448000       1.742700    
 C    3.349200      0.6775000     -1.0000000E-03
 C    4.492500      -2.129300     -0.1789000    
 C    2.359600       1.194300      0.8427000    
 C    3.110400      0.6102000      -1.378200    
 C    5.358800       2.323000       1.514500    
 C    5.242800      -3.273300     -0.8511000    
 C   0.9152000       1.567100      -1.058000    
 C    1.146300       1.637700      0.3159000    
 C    1.897100       1.053400      -1.905000    
 C   -1.792700       1.065100     -0.8879000    
 C   -2.803700       1.562300     -6.1299998E-02
 C   -1.667300     -0.3138000      -1.074100    
 C   -2.547200      -1.189900     -0.4382000    
 C   -3.555500     -0.6900000      0.3860000    
 C   -3.683600      0.6862000      0.5746000    
 C   -2.383300      -2.621800     -0.6607000    
 H    6.233200      -1.050000      0.4653000    
 H    5.655300     -0.5388000      -1.089600    
 H    6.061400      0.3792000       2.018800    
 H    4.447600      0.6825000       2.601800    
 H    3.574700      -1.970000     -0.7519000    
 H    2.488100       1.250700       1.919200    
 H    3.854700      0.2335000      -2.073500    
 H    6.002000       2.482800      0.6422000    
 H    4.439200       2.894300       1.361200    
 H    5.864100       2.752900       2.385800    
 H    4.616600      -4.169200     -0.9211000    
 H    5.538400      -2.993400      -1.867700    
 H    6.150400      -3.535100     -0.2966000    
 H   0.3965000       2.036200      0.9949000    
 H    1.735700      0.9935000      -2.978600    
 H  -0.8917000     -0.7195000      -1.721200    
 H   -4.470700       1.072400       1.217900    
 H   -1.394100      -4.313300      9.6299998E-02
 H   -1.070300      -2.859500      0.9767000    


%chk=000036256-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036256

0 1
Cl 5.140689 -3.148204 1.003793
S -0.768287 2.718799 -0.687334
O -1.637078 -3.155164 -0.330676
O -5.213442 2.859789 -1.438758
O -3.149408 3.820305 -1.278971
O -6.010275 -1.671116 -0.257788
O -4.459079 -2.824501 0.958313
N 4.616979 0.046655 0.425575
N -3.954029 2.811676 -1.160125
N -4.828270 -1.817292 0.237088
N -1.434930 -2.504043 1.897601
C 5.257881 -0.820008 -0.572690
C 5.360036 0.308061 1.681493
C 3.379589 0.644541 0.171862
C 4.705512 -2.260129 -0.640640
C 2.755545 1.507683 1.133673
C 2.676341 0.424024 -1.061221
C 6.164396 1.627862 1.651783
C 5.287015 -3.077653 -1.793514
C 0.817983 1.843083 -0.329537
C 1.497793 2.085417 0.886740
C 1.429947 1.024260 -1.307413
C -1.987658 1.382439 -0.408046
C -3.384706 1.538243 -0.676113
C -1.567210 0.110884 0.069480
C -2.453537 -0.960523 0.275443
C -3.831692 -0.752432 -0.009675
C -4.295457 0.479803 -0.486778
C -1.845893 -2.322187 0.596789
H 6.339515 -0.871166 -0.356174
H 5.165025 -0.377931 -1.586491
H 6.037802 -0.545776 1.848696
H 4.655252 0.300270 2.533128
H 3.604434 -2.270663 -0.636501
H 3.252008 1.735860 2.079700
H 3.099324 -0.212913 -1.842201
H 6.919373 1.609327 0.845082
H 5.508092 2.498840 1.480425
H 6.693273 1.776276 2.611235
H 4.921288 -4.116575 -1.763290
H 4.981379 -2.634049 -2.761422
H 6.390321 -3.096877 -1.752958
H 1.045900 2.735339 1.643775
H 0.925389 0.844396 -2.263000
H -0.502412 -0.044750 0.264782
H -5.355603 0.633070 -0.705209
H -1.015202 -3.398563 2.153702
H -1.702814 -1.855388 2.636268


