%chk=000070413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070413

0 1
 Cl  -4.103200      -3.099600      -1.308400    
 S   -1.003000       1.513800       1.681900    
 O   -2.006200       2.607300       1.903400    
 N   4.1400000E-02 -4.9300000E-02 -0.7819000    
 N    3.510000      -2.099500      0.9279000    
 C   0.8057000      -1.003900      -1.590200    
 C    2.186900      -1.292700      -1.005500    
 C   -1.238900     -0.4383000     -0.3274000    
 C   0.5454000       1.264400     -0.6514000    
 C    2.165900      -1.856300      0.4182000    
 C   -1.862200      0.2494000      0.7303000    
 C   8.5900001E-02   2.108200      0.3768000    
 C   -1.966800      -1.479300     -0.9420000    
 C    1.473900       1.804100      -1.566700    
 C   -3.154900     -0.1085000       1.152000    
 C   0.5538000       3.430000      0.4790000    
 C   -3.253300      -1.825900     -0.5220000    
 C    1.929900       3.120400      -1.463100    
 C   -3.848700      -1.138600      0.5252000    
 C    1.468300       3.934700     -0.4398000    
 C    4.211000      -3.073600      8.9400001E-02
 C    3.459200      -2.566900       2.314300    
 H   0.8762000     -0.6693000      -2.632300    
 H   0.3416000      -1.992400      -1.644900    
 H    2.825800     -0.4038000      -1.027300    
 H    2.650200      -2.010900      -1.692200    
 H    1.561400      -2.772900      0.4410000    
 H    1.668900      -1.131200       1.073800    
 H   -1.581600      -2.008300      -1.809200    
 H    1.848200       1.228700      -2.408800    
 H   -3.630200      0.4050000       1.984900    
 H   0.2191000       4.077700       1.286400    
 H    2.640400       3.506700      -2.188100    
 H   -4.846800      -1.395300      0.8693000    
 H    1.822100       4.957400     -0.3526000    
 H    3.630600      -3.991000     -6.1799999E-02
 H    5.165300      -3.356200      0.5506000    
 H    4.481600      -2.653200     -0.8838000    
 H    2.964300      -1.826400       2.952800    
 H    4.470800      -2.696900       2.714700    
 H    2.924100      -3.518600       2.410500    


%chk=000070413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070413

0 1
Cl -4.520547 -2.564831 -1.806529
S -0.802194 1.174769 1.930027
O -1.756500 2.354737 2.629059
N 0.060071 -0.211294 -0.692223
N 3.692943 -2.165383 0.885063
C 0.806561 -1.186763 -1.526081
C 2.256702 -1.413297 -1.040346
C -1.300882 -0.467374 -0.350836
C 0.536247 1.136180 -0.590010
C 2.310660 -2.022590 0.376262
C -1.903331 0.186265 0.755275
C 0.130302 1.966545 0.484231
C -2.134213 -1.313071 -1.136383
C 1.355958 1.731789 -1.588582
C -3.264013 0.072662 1.066523
C 0.442033 3.329618 0.568184
C -3.487086 -1.461491 -0.783334
C 1.716772 3.092910 -1.497656
C -4.087006 -0.774834 0.290352
C 1.251247 3.905561 -0.437457
C 4.469801 -3.210184 0.187753
C 3.731200 -2.345615 2.351740
H 0.802026 -0.886883 -2.595421
H 0.269985 -2.148654 -1.456975
H 2.833919 -0.471970 -1.035638
H 2.740961 -2.086596 -1.774004
H 1.760182 -3.002806 0.379790
H 1.766715 -1.349523 1.065405
H -1.753584 -1.808422 -2.032525
H 1.685978 1.145957 -2.451406
H -3.665154 0.645410 1.910709
H 0.048632 3.913916 1.408259
H 2.350277 3.527051 -2.278944
H -5.147955 -0.903018 0.517455
H 1.520784 4.965121 -0.389956
H 4.031170 -4.235092 0.305021
H 5.498637 -3.231838 0.588834
H 4.538366 -2.988139 -0.890848
H 3.216438 -1.501560 2.843937
H 4.780714 -2.352637 2.696588
H 3.249283 -3.295624 2.697684


