%chk=000053696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053696

0 1
 Cl   5.890900      -4.082200       1.957700    
 S  -0.4309000       4.546600      -1.425500    
 S    1.492500       4.799100       1.471800    
 O  -0.6134000       1.301200      -1.218400    
 O  -0.5979000       1.495300       1.059300    
 O   -6.060100      -2.637400      -1.001400    
 O    2.707300       1.993700       1.625500    
 N   -2.383900      0.4620000     -8.9999996E-03
 N   -4.289600      -1.624600      0.1094000    
 N    1.595400       1.322700     -0.3730000    
 N    2.965900     -0.5342000      0.2856000    
 N    4.304300      -2.288800      0.9663000    
 C   -3.156900      0.2614000       1.217600    
 C   -3.040600      1.2600000E-02  -1.242300    
 C   -3.618800      -1.188200       1.341500    
 C   -3.501200      -1.436200      -1.111100    
 C   0.6525000       1.969400      -1.267900    
 C   0.5353000       3.336900     -0.6729000    
 C   -1.150800       1.117500      2.7899999E-02
 C    1.272800       3.471500      0.4309000    
 C   -5.542700      -2.231200      4.2300001E-02
 C    1.962000       2.180000      0.6769000    
 C    2.070000     -9.3000000E-03 -0.5899000    
 C   -6.289200      -2.382800       1.343500    
 C  -0.5747000       5.776500     -9.6900001E-02
 C   0.7801000       6.147200      0.4869000    
 C    1.586800     -0.6959000      -1.687300    
 C   -7.634000      -3.021300       1.094600    
 C    2.051100      -1.984400      -1.888800    
 C    3.420400      -1.780100      9.7900003E-02
 C    2.976500      -2.543300     -0.9959000    
 C    3.470700      -3.844200      -1.167600    
 C    4.384300      -4.361900     -0.2657000    
 C    4.765900      -3.547500      0.7779000    
 H   -2.571500      0.5465000       2.097200    
 H   -4.022300      0.9327000       1.161600    
 H   -3.901100      0.6733000      -1.401000    
 H   -2.380500      0.1134000      -2.107900    
 H   -4.255400      -1.295600       2.220900    
 H   -2.754800      -1.849400       1.480100    
 H   -2.635600      -2.105700      -1.038800    
 H   -4.073100      -1.728000      -1.997300    
 H    1.041200       1.998000      -2.292000    
 H   -1.260600       5.407500      0.6742000    
 H   -1.035100       6.669000     -0.5337000    
 H   -6.435400      -1.396000       1.794700    
 H   -5.706500      -3.011500       2.024600    
 H    1.488200       6.444400     -0.2951000    
 H   0.6623000       7.006900       1.154900    
 H   0.8831000     -0.2934000      -2.404400    
 H   -8.249000      -2.415500      0.4202000    
 H   -7.530900      -4.019300      0.6546000    
 H   -8.180600      -3.128600       2.037300    
 H    1.692800      -2.551300      -2.744800    
 H    3.144800      -4.456900      -2.004800    
 H    4.773600      -5.366300     -0.3876000    


%chk=000053696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053696

0 1
Cl 7.509043 -3.392258 0.636169
S -0.353027 4.400193 -1.409648
S 1.984005 4.802492 1.377067
O -0.661502 1.123393 -1.062471
O -1.184942 2.018377 1.073883
O -5.963613 -2.825322 -1.019846
O 2.913322 1.799466 1.764667
N -2.689559 0.649375 -0.087938
N -4.511474 -1.513882 0.228697
N 1.670745 1.089190 -0.182425
N 3.451509 -0.453035 -0.002594
N 5.267333 -1.927134 0.233389
C -3.702714 0.709720 0.985561
C -3.080943 -0.148251 -1.271784
C -4.112929 -0.722040 1.408962
C -3.486714 -1.572582 -0.835411
C 0.709365 1.731017 -1.082942
C 0.751386 3.191657 -0.668692
C -1.498755 1.325295 0.073126
C 1.593468 3.357767 0.391444
C -5.725470 -2.185799 0.051950
C 2.175172 2.039323 0.791312
C 2.204927 -0.198679 -0.442562
C -6.745643 -2.119385 1.201133
C -0.549348 5.472464 0.149482
C 0.773930 6.072421 0.630426
C 1.411422 -1.151726 -1.181449
C -8.016005 -2.929955 0.885441
C 1.954967 -2.404288 -1.445005
C 3.983277 -1.697133 -0.240814
C 3.266898 -2.725582 -0.972761
C 3.908628 -3.987809 -1.180380
C 5.196662 -4.199372 -0.688487
C 5.808507 -3.107857 0.007075
H -3.272099 1.261844 1.836202
H -4.593626 1.256041 0.615089
H -3.943270 0.341430 -1.767025
H -2.242205 -0.179947 -1.980488
H -4.939507 -0.665552 2.132485
H -3.250517 -1.209128 1.908710
H -2.594824 -2.113285 -0.457223
H -3.918759 -2.136189 -1.678587
H 0.978161 1.556907 -2.140326
H -1.018338 4.830926 0.912751
H -1.245124 6.271880 -0.156205
H -7.013629 -1.060949 1.395221
H -6.276246 -2.497343 2.131611
H 1.291932 6.606289 -0.180639
H 0.591319 6.768357 1.468284
H 0.400088 -0.888919 -1.499415
H -8.500709 -2.557455 -0.032110
H -7.771681 -3.991468 0.714105
H -8.733888 -2.859955 1.722425
H 1.379495 -3.153305 -2.001247
H 3.386193 -4.782317 -1.725469
H 5.728905 -5.143620 -0.819921


