%chk=000077451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077451

0 1
 Cl   3.278600      -2.768300     -0.3092000    
 S   -5.538500      0.4920000     -0.5309000    
 O   -6.223700       1.752600     -0.7642000    
 O   -5.617500     -0.5670000      -1.523300    
 O    7.060000       2.177800      0.2679000    
 O    7.607400      5.3900000E-02  0.3623000    
 N   -6.023600     -0.1306000      0.9823000    
 N   0.7914000     -0.5140000      0.4821000    
 N   3.4400001E-02  -3.204500      0.3717000    
 N    1.380900     -0.4221000     -0.6174000    
 N    6.752600      0.9621000      0.2242000    
 C   -2.874200     -0.1821000     -0.1031000    
 C   -3.835200      0.8299000     -0.2604000    
 C   -1.521700      0.1753000      0.1113000    
 C  -0.5605000     -0.8367000      0.2682000    
 C   -3.225800      -1.540700     -0.1541000    
 C   -3.468000       2.174900     -0.2072000    
 C   -1.170000       1.533900      0.1618000    
 C  -0.9278000      -2.181500      0.2147000    
 C   -2.137900       2.526100      3.5000001E-03
 C   -2.257800      -2.533000      3.8999999E-03
 C   -5.896500      0.6938000       2.192500    
 C    2.732000     -9.9500000E-02 -0.4041000    
 C    3.694900      -1.093600     -0.2490000    
 C    3.094600       1.244300     -0.3519000    
 C    5.395200      0.6029000      1.2400000E-02
 C    5.028600     -0.7419000     -4.0600002E-02
 C    4.428200       1.596000     -0.1432000    
 H   -4.239100      -1.900500     -0.2755000    
 H   -4.189900       2.977900     -0.3210000    
 H  -0.1448000       1.853200      0.3314000    
 H   -1.852700       3.573300      4.7400001E-02
 H   -2.557300      -3.577600     -3.1800002E-02
 H   -6.024400      -1.147600       1.126100    
 H  -0.2450000      -4.175700      0.3330000    
 H    1.002300      -2.961600      0.5351000    
 H   -6.031000       1.755400       1.971000    
 H   -4.917800      0.5325000       2.651700    
 H   -6.669200      0.3953000       2.906400    
 H    2.349800       2.026200     -0.4747000    
 H    5.767800      -1.531200      7.8400001E-02
 H    4.676900       2.653700     -0.1085000    


%chk=000077451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077451

0 1
Cl 2.613674 2.055068 -2.251964
S -5.806525 0.022504 -0.347886
O -6.547106 1.158563 -1.239406
O -6.149151 -1.561682 -0.484809
O 7.693804 0.136242 1.139297
O 7.629481 1.654982 -0.566648
N -6.223913 0.435694 1.388094
N 0.875785 -0.958664 0.268865
N 0.057947 -3.237871 1.325641
N 1.415919 0.104380 -0.303545
N 7.064142 0.811352 0.233134
C -2.933559 -0.589549 -0.091897
C -3.913362 0.325265 -0.579995
C -1.536636 -0.213720 -0.246681
C -0.508082 -1.117971 0.264512
C -3.271156 -1.853563 0.521865
C -3.612542 1.522227 -1.226072
C -1.228442 1.021263 -0.905102
C -0.899825 -2.370488 0.873808
C -2.241738 1.859266 -1.390763
C -2.290596 -2.710217 0.988362
C -6.067670 1.852263 1.771747
C 2.820675 0.201517 -0.148029
C 3.518654 1.123575 -0.986147
C 3.580293 -0.505077 0.835040
C 5.607526 0.599355 0.103933
C 4.900150 1.328056 -0.878105
C 4.961287 -0.316598 0.967658
H -4.322832 -2.158617 0.560217
H -4.418551 2.161131 -1.600992
H -0.177705 1.287650 -1.030795
H -1.975649 2.788793 -1.904120
H -2.567562 -3.672718 1.432647
H -5.802601 -0.272710 2.009054
H -0.184986 -4.128797 1.751250
H 1.033483 -2.959907 1.199548
H -6.565385 2.472687 1.008170
H -5.017829 2.192428 1.896136
H -6.608672 1.996057 2.723546
H 3.041198 -1.188570 1.496846
H 5.433168 2.027117 -1.526642
H 5.550589 -0.847417 1.719431


