%chk=000012898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012898

0 1
 Cl -0.9663000      -2.783000       1.838700    
 Cl -0.5991000      -4.486300     -0.4830000    
 S   -2.088100       1.057700     -0.6241000    
 S   -1.368600      -1.677000     -0.8920000    
 F   0.8992000      -2.501700      0.1038000    
 O   -3.447000      0.5883000     -0.4003000    
 O   -1.717400       1.526500      -1.947400    
 N  -0.9860000     -0.1770000     -9.8899998E-02
 N   -1.802500       2.322400      0.5133000    
 C   0.4269000      0.1355000     -7.9599999E-02
 C    1.105900      0.2760000      -1.278900    
 C    1.071900      0.2872000       1.136900    
 C    3.131900      0.7323000     -4.4500001E-02
 C  -0.6887000       3.273800      0.2954000    
 C   -2.040100       2.033000       1.947900    
 C    2.467900      0.5764000      -1.261100    
 C    2.433800      0.5877000       1.154600    
 C    4.587900       1.054900     -2.5500000E-02
 C  -0.4217000      -2.826800      0.1447000    
 H   0.6124000      0.1619000      -2.239600    
 H   0.5418000      0.1635000       2.075900    
 H  -0.9952000       4.263400      0.6498000    
 H  -0.4478000       3.373500     -0.7657000    
 H   0.2096000       2.975400      0.8391000    
 H   -2.424100       2.935400       2.434400    
 H   -1.122000       1.727600       2.452500    
 H   -2.792900       1.250400       2.075100    
 H    3.000300      0.6891000      -2.201800    
 H    2.940100      0.7058000       2.109000    
 H    5.073400      0.6379000      0.8634000    
 H    5.097900      0.6311000     -0.8973000    
 H    4.732100       2.139800     -2.7799999E-02


%chk=000012898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012898

0 1
Cl -1.923960 -1.521903 2.533494
Cl -2.274347 -3.803653 0.535062
S -1.110492 1.945798 -0.100771
S -0.969598 -1.315040 -0.460869
F 0.058992 -2.925453 1.494748
O -1.836599 1.850800 -1.558169
O 0.002265 3.098243 0.192474
N 0.063670 -0.031402 0.364342
N -2.498512 2.297660 1.118957
C 1.353027 0.171207 -0.180242
C 1.871343 -0.386769 -1.390848
C 2.193614 1.030841 0.599936
C 4.034154 0.734915 -1.009044
C -2.029871 2.424760 2.510993
C -3.727533 1.518914 0.874141
C 3.190923 -0.116740 -1.780137
C 3.508039 1.296711 0.186172
C 5.442170 1.050767 -1.468073
C -1.175823 -2.392146 1.058060
H 1.240436 -1.044558 -1.997683
H 1.794162 1.462626 1.521019
H -2.788551 3.015370 3.058326
H -1.082713 2.988669 2.522657
H -1.898072 1.449671 3.024068
H -4.577252 2.134633 1.225864
H -3.746413 0.543966 1.401180
H -3.843387 1.363924 -0.211471
H 3.582416 -0.566082 -2.700353
H 4.138811 1.952355 0.796892
H 6.086073 1.360470 -0.627316
H 5.912640 0.184270 -1.965470
H 5.435887 1.881876 -2.200937


