%chk=000060854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060854

0 1
 Cl  -3.759800      -3.247400      0.7298000    
 S    6.915000      -1.278800     -0.2655000    
 O   -8.180400       2.552100     -0.6990000    
 N   0.3209000      -1.291500     -9.6799999E-02
 N    3.142200     -0.8571000     -0.1988000    
 N    5.347100      -1.807800     -0.3286000    
 N   -7.249800      0.4283000     -0.3103000    
 C   0.9204000     -0.1382000      0.5852000    
 C    1.075100      -1.596400      -1.319000    
 C    2.374100     -0.4220000      0.9717000    
 C    2.533300      -1.929800     -0.9953000    
 C   -1.082600      -1.028300     -0.4126000    
 C   -1.897400     -0.8016000      0.8613000    
 C    4.537900     -0.7560000     -0.1897000    
 C   -3.351800     -0.5510000      0.5508000    
 C    5.158900      0.5296000     -2.4700001E-02
 C   -5.079800      0.9989000      6.1999999E-02
 C   -3.747800      0.7689000      0.3458000    
 C   -5.982000     -5.9099998E-02 -1.3500000E-02
 C   -4.262200      -1.614000      0.4741000    
 C   -5.794800       2.285500     -0.2030000    
 C    6.548200      0.3881000     -4.7899999E-02
 C   -5.606900      -1.372000      0.1868000    
 C   -7.236100       1.821300     -0.4423000    
 C    4.617900       1.823000      0.1453000    
 C    7.415000       1.483100      9.1499999E-02
 C    5.472700       2.921200      0.2848000    
 C    6.852700       2.751000      0.2579000    
 H   0.4174000      9.1799997E-02   1.527800    
 H   0.8744000      0.7594000     -4.5899998E-02
 H    1.039000     -0.7501000      -2.018200    
 H   0.6324000      -2.460600      -1.829200    
 H    2.792100      0.4589000       1.464700    
 H    2.400100      -1.225600       1.720500    
 H    2.588400      -2.875200     -0.4403000    
 H    3.075000      -2.065400      -1.939800    
 H   -1.179300     -0.1636000      -1.083500    
 H   -1.498500      -1.889500     -0.9510000    
 H   -1.552500      7.8699999E-02   1.414800    
 H   -1.775100      -1.634300       1.563700    
 H   -3.045500       1.593700      0.4010000    
 H   -5.763200       2.947400      0.6661000    
 H   -5.414800       2.777000      -1.102200    
 H   -6.331800      -2.176500      0.1215000    
 H   -8.068400     -0.1593000     -0.4150000    
 H    3.546500       2.001100      0.1349000    
 H    8.492800       1.355700      7.0900001E-02
 H    5.053400       3.916200      0.4068000    
 H    7.503400       3.614700      0.3657000    


%chk=000060854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060854

0 1
Cl -3.592442 -3.320710 0.245718
S 7.034222 -1.591016 -0.350299
O -8.752043 2.200607 -0.608280
N 0.313918 -0.961457 -0.050907
N 3.183880 -0.701156 -0.220371
N 5.233918 -1.885945 -0.365531
N -7.523475 0.178980 -0.476293
C 1.001503 0.239004 0.480450
C 1.076402 -1.534126 -1.190050
C 2.428953 -0.119967 0.923268
C 2.506182 -1.904985 -0.762663
C -1.113104 -0.733684 -0.371588
C -2.002609 -0.669056 0.901274
C 4.587728 -0.713305 -0.176820
C -3.473723 -0.525225 0.554257
C 5.414378 0.493888 -0.003118
C -5.428815 0.919325 0.162164
C -4.082863 0.764949 0.515022
C -6.206210 -0.228300 -0.161113
C -4.296359 -1.628402 0.219430
C -6.313648 2.144930 0.046081
C 6.805904 0.177743 -0.034806
C -5.658908 -1.521908 -0.138028
C -7.687601 1.575737 -0.381974
C 5.024887 1.856497 0.094714
C 7.800466 1.171203 0.093059
C 6.008987 2.854417 0.219058
C 7.389694 2.512627 0.234531
H 0.445870 0.621311 1.355649
H 1.049225 1.057087 -0.284893
H 1.132533 -0.819456 -2.049909
H 0.558493 -2.447274 -1.535953
H 2.948055 0.771216 1.307857
H 2.368610 -0.864106 1.748347
H 2.474040 -2.714461 -0.002471
H 3.087022 -2.276890 -1.622387
H -1.266759 0.196460 -0.976373
H -1.460024 -1.581742 -0.989969
H -1.696152 0.186881 1.530756
H -1.818464 -1.590840 1.480204
H -3.471764 1.638041 0.772910
H -6.429917 2.699738 0.994825
H -5.969202 2.871682 -0.711904
H -6.243447 -2.413457 -0.379850
H -8.287560 -0.442082 -0.743141
H 3.967225 2.132622 0.040992
H 8.863979 0.912857 0.072194
H 5.711011 3.905639 0.292509
H 8.143807 3.300608 0.336721


