%chk=000078521.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078521

0 1
 Cl  -2.910500       2.937600      4.5299999E-02
 S   -4.694700      0.2403000      5.8800001E-02
 O   -5.172000      -1.007900      0.6323000    
 O   -5.124700       1.511100      0.6201000    
 O  -2.7799999E-02  -3.017000       1.125600    
 N    1.254400     -5.5000000E-03  4.9600001E-02
 N   -5.016200      0.2400000      -1.618100    
 N  -1.7300000E-02  -3.018700      -1.167600    
 C  -0.1572000      5.0999999E-02  5.2099999E-02
 C  -0.9202000      -1.116600      5.8200002E-02
 C   -2.942600      0.2052000      5.6499999E-02
 C    2.076100       1.163500      4.3000001E-02
 C   -2.312900      -1.039500      6.0500000E-02
 C  -0.7869000       1.295700      4.8000000E-02
 C   -2.179500       1.372800      5.0099999E-02
 C    3.530800      0.7851000      5.2000000E-03
 C  -0.2925000      -2.432000      6.2600002E-02
 C    4.221900      0.5999000       1.195600    
 C    4.166100      0.6255000      -1.219600    
 C    5.571500      0.2489000       1.160600    
 C    5.515600      0.2745000      -1.254400    
 C    6.218400      8.6199999E-02 -6.4400002E-02
 H    1.893300       1.777500      0.9346000    
 H    1.858000       1.794600     -0.8285000    
 H    1.688600     -0.9216000      5.8499999E-02
 H   -2.893800      -1.958700      5.6699999E-02
 H  -0.2205000       2.222800      4.4799998E-02
 H    3.727500      0.7219000       2.155200    
 H    3.627900      0.7674000      -2.152700    
 H    6.118600      0.1017000       2.087300    
 H    6.019200      0.1471000      -2.208200    
 H   -5.411900     -0.6148000      -2.028100    
 H   -5.377700       1.106600      -2.034900    
 H    7.269100     -0.1874000     -9.1499999E-02
 H  -0.2336000      -2.557200      -2.045500    
 H   0.4133000      -3.935600      -1.223800    


%chk=000078521-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078521

0 1
Cl -2.991086 2.855434 0.332892
S -4.749800 0.003974 -0.294973
O -5.087171 -1.519919 -0.774271
O -5.434768 0.628863 1.037032
O 1.195036 -2.591882 -0.465691
N 1.319991 -0.037274 0.093812
N -5.129653 1.045277 -1.758174
N -0.825072 -3.640390 -0.786215
C -0.044634 -0.005708 -0.000951
C -0.801618 -1.210923 -0.305586
C -2.879991 0.089340 -0.189371
C 2.156533 1.134291 0.385736
C -2.206753 -1.120651 -0.396904
C -0.763262 1.223379 0.198101
C -2.153331 1.261244 0.102101
C 3.640390 0.819092 0.237876
C -0.088262 -2.504948 -0.521252
C 4.564979 1.314497 1.189350
C 4.124157 0.071509 -0.866301
C 5.949950 1.075388 1.040819
C 5.507142 -0.175878 -1.011210
C 6.425220 0.327549 -0.060413
H 1.957702 1.508749 1.411997
H 1.886927 1.958203 -0.310972
H 1.739998 -0.980335 -0.039736
H -2.839768 -1.983298 -0.635412
H -0.224334 2.143365 0.431117
H 4.201618 1.885280 2.052935
H 3.422219 -0.319071 -1.612333
H 6.653252 1.464027 1.785614
H 5.867736 -0.759433 -1.865498
H -5.854082 0.553659 -2.307919
H -5.413525 1.986492 -1.441461
H 7.497773 0.135685 -0.174748
H -1.840394 -3.665244 -0.830483
H -0.305318 -4.505943 -0.925608


