%chk=000048026.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048026

0 1
 Cl -0.2088000      -2.533800     -0.2926000    
 S   -2.992700      -1.716900     -8.9599997E-02
 O   -3.308500      -2.368500       1.163900    
 O   -3.445500      -2.208100      -1.374100    
 N    3.774900      0.4208000     -0.3361000    
 N   7.8900002E-02  0.7024000     -0.1039000    
 C    3.995300     -0.5223000      0.7693000    
 C    4.848500       1.422200     -0.4020000    
 C    5.331100      -1.251100      0.6150000    
 C    6.212200      0.7571000     -0.5945000    
 C    6.489500     -0.2669000      0.5004000    
 C    2.473500       1.074400     -0.1993000    
 C    1.354400      4.2199999E-02 -0.2481000    
 C   -1.109100      4.6799999E-02 -8.0300003E-02
 C   -2.379100      0.7888000      3.5300002E-02
 C   -3.493400     -5.2900001E-02  4.2399999E-02
 C   -1.328200      -1.273900     -0.1516000    
 C   -2.591200       2.158100      0.1332000    
 C   -4.799400      0.3842000      0.1403000    
 C   -3.904100       2.639000      0.2344000    
 C   -4.998500       1.758500      0.2378000    
 H    3.250500      -1.321500      0.7879000    
 H    3.961600     -9.4999997E-03   1.739400    
 H    4.864800       2.038000      0.5070000    
 H    4.676500       2.096800      -1.249500    
 H    5.302900      -1.887100     -0.2791000    
 H    5.494100      -1.913300       1.473100    
 H    6.999300       1.519700     -0.5951000    
 H    6.244900      0.2628000      -1.573800    
 H    6.627300      0.2496000       1.458200    
 H    7.420100     -0.8038000      0.2867000    
 H    2.415700       1.654800      0.7316000    
 H    2.328200       1.784800      -1.023900    
 H    1.408300     -0.4978000      -1.200300    
 H    1.447000     -0.6445000      0.5938000    
 H   6.2700003E-02   1.714500     -4.1800000E-02
 H   -1.768100       2.865300      0.1334000    
 H   -5.636300     -0.3039000      0.1420000    
 H   -4.078500       3.709200      0.3113000    
 H   -6.006800       2.155400      0.3172000    


%chk=000048026-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048026

0 1
Cl -0.438576 -2.880732 -0.732725
S -3.366440 -1.798997 -0.528412
O -3.858063 -2.785049 0.674994
O -3.880385 -2.126612 -2.041821
N 3.790059 0.353903 -0.140819
N 0.021730 0.442474 0.019098
C 4.233755 -0.278510 1.130362
C 4.792525 1.335408 -0.635775
C 5.581127 -1.005327 0.946027
C 6.156865 0.658687 -0.875333
C 6.658737 -0.034820 0.411593
C 2.429997 0.918609 -0.063785
C 1.346526 -0.176584 -0.176459
C -1.205658 -0.162519 -0.132151
C -2.431064 0.684349 0.056372
C -3.664002 0.018754 -0.094977
C -1.493939 -1.473637 -0.448209
C -2.470380 2.065222 0.358763
C -4.913441 0.621371 0.036731
C -3.720763 2.713259 0.507050
C -4.934608 2.005443 0.350583
H 3.464606 -0.998356 1.463581
H 4.337803 0.493973 1.938937
H 4.926738 2.178543 0.093414
H 4.415515 1.770414 -1.580254
H 5.440935 -1.836990 0.229410
H 5.894928 -1.443807 1.912563
H 6.885204 1.416830 -1.221683
H 6.043818 -0.091689 -1.681306
H 6.877666 0.732917 1.182801
H 7.604122 -0.574945 0.216956
H 2.266021 1.501881 0.884376
H 2.299092 1.627139 -0.904166
H 1.409705 -0.643709 -1.173823
H 1.518652 -0.970679 0.574112
H 0.024309 1.398217 0.376366
H -1.554863 2.657106 0.472630
H -5.838344 0.052437 -0.097034
H -3.744236 3.782230 0.742658
H -5.891673 2.523395 0.467358


