%chk=000091003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091003

0 1
 Cl  -8.520100       2.483600     -0.6039000    
 S   -1.951200       1.029900      0.9791000    
 N    2.024100      0.1953000       1.074000    
 N    4.752800      0.1923000      0.2323000    
 C    2.379100      0.5214000     -0.3137000    
 C    3.087900      0.6366000       1.985500    
 C    3.688000     -0.1618000     -0.7128000    
 C    4.423400     -3.0099999E-02   1.642800    
 C   0.7484000      0.8118000       1.436200    
 C  -0.3598000      0.2720000      0.5407000    
 C    6.059600      0.2816000     -0.1938000    
 C   -2.986900      0.1868000     -0.2385000    
 C    6.530200     -0.5092000      -1.261200    
 C    6.965800       1.166700      0.4237000    
 C   -4.387600      0.7688000     -0.3311000    
 C   -2.976600      -1.325600     -8.9599997E-02
 C    7.853200     -0.4182000      -1.693600    
 C    8.288800       1.257600     -8.8000000E-03
 C    8.732600      0.4652000      -1.067500    
 C   -4.989400      0.8710000      -1.569800    
 C   -5.019900       1.178600      0.8261000    
 C   -2.375600      -2.090400      -1.069900    
 C   -3.568800      -1.892900       1.021500    
 C   -6.275400       1.404500      -1.654700    
 C   -6.305900       1.712300      0.7413000    
 C   -2.366100      -3.478500     -0.9334000    
 C   -3.559300      -3.281000       1.158000    
 C   -6.933500       1.825300     -0.4992000    
 C   -2.957900      -4.073900      0.1805000    
 H    2.469300       1.607400     -0.4501000    
 H    1.641700      0.1540000      -1.031500    
 H    2.829400      0.3731000       3.018200    
 H    3.203900       1.728100       1.945000    
 H    3.561500      -1.251700     -0.7374000    
 H    3.934000      0.1708000      -1.729300    
 H    5.191300      0.3714000       2.313500    
 H    4.368600      -1.109800       1.832500    
 H   0.8085000       1.906000       1.360000    
 H   0.5138000      0.5672000       2.480500    
 H  -0.4152000     -0.8145000      0.6541000    
 H  -0.2092000      0.5194000     -0.5109000    
 H   -2.506900      0.4390000      -1.194600    
 H    5.879100      -1.221600      -1.762200    
 H    6.642000       1.808200       1.240200    
 H    8.200200      -1.037800      -2.515300    
 H    8.972700       1.947900      0.4762000    
 H    9.762700      0.5359000      -1.404200    
 H   -4.486700      0.5439000      -2.475200    
 H   -4.578100       1.086800       1.812700    
 H   -1.910800      -1.639100      -1.941300    
 H   -4.032800      -1.299500       1.801900    
 H   -6.752500       1.485800      -2.628000    
 H   -6.809200       2.031300       1.650500    
 H   -1.897400      -4.095700      -1.694200    
 H   -4.017500      -3.744600       2.026600    
 H   -2.949800      -5.154700      0.2872000    


%chk=000091003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091003

0 1
Cl -9.069416 2.087747 -0.000686
S -2.067911 1.254619 0.634535
N 2.040423 0.640177 0.693100
N 4.886649 0.437806 0.162457
C 2.597284 0.979231 -0.638248
C 3.034196 0.981196 1.739936
C 3.899682 0.203970 -0.908767
C 4.333096 0.190411 1.514593
C 0.706619 1.238692 0.944487
C -0.402461 0.450808 0.223041
C 6.262362 0.200624 -0.092604
C -3.219590 0.170015 -0.471225
C 6.715366 -0.311725 -1.347448
C 7.254814 0.507793 0.889762
C -4.648794 0.684824 -0.322144
C -3.056324 -1.316640 -0.170251
C 8.091717 -0.487245 -1.606139
C 8.624363 0.318259 0.622729
C 9.062425 -0.177482 -0.628538
C -5.506201 0.650945 -1.451767
C -5.170012 1.160813 0.907790
C -2.378186 -2.145197 -1.100208
C -3.561478 -1.900582 1.020612
C -6.851435 1.071331 -1.364918
C -6.511271 1.590777 1.013779
C -2.207980 -3.526731 -0.851885
C -3.390914 -3.278093 1.271903
C -7.333985 1.535076 -0.126430
C -2.714068 -4.097951 0.336707
H 2.807607 2.076768 -0.717378
H 1.864423 0.716156 -1.421882
H 2.618437 0.711250 2.728138
H 3.268650 2.076156 1.745456
H 3.663316 -0.880565 -1.014860
H 4.314845 0.562548 -1.866488
H 5.066037 0.483079 2.281647
H 4.114717 -0.894030 1.646879
H 0.664192 2.315466 0.644544
H 0.515499 1.197850 2.033466
H -0.412201 -0.596402 0.562948
H -0.276897 0.479271 -0.873665
H -2.880589 0.358018 -1.505984
H 5.998180 -0.599073 -2.121456
H 6.962689 0.924957 1.858608
H 8.402668 -0.883938 -2.579983
H 9.357147 0.572401 1.397745
H 10.128757 -0.319394 -0.832121
H -5.124998 0.286896 -2.413090
H -4.518892 1.219464 1.786987
H -1.984192 -1.707138 -2.026344
H -4.089618 -1.276837 1.749263
H -7.505913 1.042296 -2.240710
H -6.904865 1.964190 1.963632
H -1.682660 -4.151961 -1.582523
H -3.787756 -3.715939 2.194848
H -2.585054 -5.168062 0.533252


