%chk=000068881.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068881

0 1
 Cl   3.226000       2.599200      -2.259100    
 S   0.5649000      -1.883700     -0.8872000    
 O   0.1752000      -1.687500      -2.270500    
 O    1.146100      -3.143600     -0.4645000    
 O    2.066700      -1.583900       1.706500    
 N   -3.651900      0.9264000      0.1460000    
 N  -0.7599000      -1.495400      0.1245000    
 N    4.448800       2.400700      0.5207000    
 C   -2.902800     -0.3190000      0.3634000    
 C   -3.627400      -1.312000     -0.5480000    
 C   -5.037100     -0.7543000     -0.7115000    
 C   -5.059100      0.5198000      0.1163000    
 C   -1.424700     -0.2047000      1.3100000E-02
 C   -3.408700       1.933200       1.172000    
 C   -4.214800       3.193300      0.9067000    
 C    1.719400     -0.6148000     -0.4608000    
 C    2.330600     -0.6177000      0.7826000    
 C    1.992900      0.3712000      -1.395700    
 C    3.239100      0.3920000       1.100100    
 C    2.901300       1.380900      -1.078200    
 C    3.524400       1.391300      0.1697000    
 C    2.751000      -1.491400       2.954200    
 H   -3.013900     -0.6604000       1.402900    
 H   -3.649500      -2.313700     -0.1047000    
 H   -3.154300      -1.394700      -1.534100    
 H   -5.226900     -0.5338000      -1.768700    
 H   -5.797500      -1.466500     -0.3756000    
 H   -5.708200       1.265700     -0.3529000    
 H   -5.442300      0.3000000       1.121300    
 H  -0.9270000      0.4924000      0.6958000    
 H   -1.313700      0.1929000      -1.002500    
 H   -3.639500       1.555600       2.176000    
 H   -2.349600       2.214000       1.169200    
 H  -0.8162000      -1.956100       1.041300    
 H   -4.055500       3.564000     -0.1117000    
 H   -5.287600       3.039800       1.059000    
 H   -3.902600       3.983900       1.597700    
 H    1.511900      0.3759000      -2.369600    
 H    3.754500      0.4533000       2.053100    
 H    4.667300       3.132400     -0.1425000    
 H    4.892000       2.392900       1.429600    
 H    3.834400      -1.594800       2.830500    
 H    2.421000      -2.338800       3.564300    
 H    2.475200     -0.5830000       3.500700    


%chk=000068881-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068881

0 1
Cl 3.930504 2.258958 -2.785314
S 0.555068 -1.782272 -0.865439
O -0.015985 -1.420659 -2.347248
O 1.150682 -3.250364 -0.531437
O 1.862112 -1.107288 1.777199
N -3.823156 0.810427 0.490594
N -0.847448 -1.509651 0.301132
N 4.981817 2.307100 0.064889
C -3.093233 -0.492526 0.571297
C -3.885233 -1.474718 -0.334119
C -4.714782 -0.539695 -1.251630
C -5.065733 0.627400 -0.305701
C -1.633256 -0.274393 0.074241
C -3.957944 1.551971 1.758236
C -4.399804 3.012550 1.547005
C 1.861374 -0.463035 -0.522892
C 2.428146 -0.321658 0.767342
C 2.303502 0.313560 -1.604926
C 3.471551 0.604807 0.965810
C 3.333528 1.234766 -1.392150
C 3.953701 1.399769 -0.117825
C 2.554167 -1.177418 3.069829
H -3.058446 -0.868779 1.618339
H -4.562724 -2.096645 0.280129
H -3.207773 -2.150871 -0.880515
H -4.099126 -0.172852 -2.092936
H -5.610656 -1.029895 -1.669194
H -5.330464 1.552582 -0.848643
H -5.935586 0.349739 0.343445
H -1.200248 0.619541 0.571099
H -1.666155 -0.080161 -1.012598
H -4.680063 1.046595 2.453727
H -2.972542 1.544936 2.263499
H -0.441016 -1.613347 1.247722
H -3.691790 3.532424 0.877499
H -5.405447 3.068122 1.093177
H -4.436285 3.549724 2.512690
H 1.836814 0.179023 -2.586431
H 3.920993 0.736769 1.954908
H 5.307524 2.865726 -0.721315
H 5.430407 2.417328 0.969047
H 3.603183 -1.499111 2.934308
H 2.004733 -1.933900 3.647860
H 2.517090 -0.203578 3.594689


