%chk=000028361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028361

0 1
 Cl  -6.565600      -2.469100      0.6989000    
 S   -1.660100       1.304100       1.897000    
 O    7.435200       1.667400       2.017600    
 N    1.620200      -1.741000      -1.273400    
 N    4.226700      -1.275000     -0.1127000    
 C    2.215200     -0.3992000      -1.248700    
 C    2.669600      -2.766600      -1.319500    
 C   0.7057000      -1.882700      -2.404600    
 C    3.176700     -0.2503000     -6.4599998E-02
 C    3.631900      -2.616900     -0.1362000    
 C  -0.4034000     -0.8351000      -2.324900    
 C   -1.216500      -1.007200      -1.047200    
 C   -2.312300      6.1400000E-02 -0.9438000    
 C    5.142700      -1.133000       1.017200    
 C   -3.252300     -0.2508000      0.2078000    
 C   -1.697600       1.449600     -0.8931000    
 C    5.835200      0.2252000      0.9700000    
 C   -3.034600      0.2377000       1.506600    
 C   -1.355300       2.073700      0.3179000    
 C   -4.353700      -1.093900     -2.4700001E-02
 C   -1.421000       2.113900      -2.101400    
 C    6.813700      0.3940000       2.124400    
 C   -3.911600     -0.1178000       2.541800    
 C  -0.7497000       3.338800      0.3039000    
 C   -5.224100      -1.437500       1.009000    
 C  -0.8243000       3.374200      -2.106000    
 C   -5.002400     -0.9497000       2.292100    
 C  -0.4883000       3.985900     -0.9033000    
 H    2.742800     -0.1828000      -2.187600    
 H    1.463300      0.3810000      -1.100200    
 H    3.232100      -2.709500      -2.261400    
 H    2.215700      -3.763800      -1.270300    
 H   0.2527000      -2.882100      -2.395100    
 H    1.234500      -1.777800      -3.360800    
 H    3.587000      0.7590000     -0.1561000    
 H    2.616700     -0.3006000      0.8791000    
 H    3.098800      -2.825700      0.8014000    
 H    4.421500      -3.371500     -0.2378000    
 H   2.3000000E-02  0.1552000      -2.467800    
 H   -1.069800     -0.9906000      -3.184200    
 H  -0.5722000     -0.9607000     -0.1607000    
 H   -1.668600      -2.008000      -1.045100    
 H   -2.925500      2.4400000E-02  -1.856600    
 H    5.910200      -1.915700      0.9669000    
 H    4.616800      -1.254800       1.973200    
 H    5.129300       1.057800       1.047800    
 H    6.365300      0.3586000      1.8300001E-02
 H   -4.524500      -1.487100      -1.025300    
 H   -1.687300       1.662600      -3.054500    
 H    6.309600      0.3301000       3.094000    
 H    7.596900     -0.3695000       2.089700    
 H   -3.757700      0.2499000       3.554000    
 H  -0.4763000       3.836800       1.231600    
 H  -0.6235000       3.876800      -3.047400    
 H   -5.669000      -1.209400       3.110500    
 H  -2.1900000E-02   4.966700     -0.9036000    
 H    6.739000       2.342100       2.092500    


%chk=000028361-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028361

0 1
Cl -6.849380 -2.434355 0.669467
S -1.555604 1.093004 1.756594
O 8.189989 1.270190 1.977264
N 1.700213 -1.619400 -1.259325
N 4.262284 -1.223763 0.070506
C 2.402887 -0.313827 -1.307485
C 2.684654 -2.721369 -1.126161
C 0.782632 -1.834088 -2.405653
C 3.278215 -0.120027 -0.058588
C 3.548900 -2.525089 0.129206
C -0.425907 -0.871932 -2.414931
C -1.278142 -0.977471 -1.133933
C -2.465312 0.048588 -1.087804
C 5.188840 -1.051140 1.215940
C -3.382929 -0.288169 0.084891
C -1.955554 1.487285 -1.026119
C 6.168689 0.127639 1.033530
C -3.052052 0.086168 1.412349
C -1.473707 2.046170 0.185126
C -4.559798 -1.048022 -0.125983
C -1.904919 2.292880 -2.191485
C 7.240618 0.156385 2.138724
C -3.857732 -0.305970 2.505392
C -0.924286 3.347683 0.230339
C -5.347629 -1.439752 0.970638
C -1.354355 3.593136 -2.164436
C -5.013794 -1.087906 2.292303
C -0.852088 4.117850 -0.950972
H 3.049575 -0.235660 -2.218966
H 1.658142 0.500981 -1.345049
H 3.359003 -2.779202 -2.018532
H 2.135648 -3.678765 -1.047858
H 0.411928 -2.876326 -2.337406
H 1.323660 -1.744590 -3.384515
H 3.816280 0.839869 -0.151133
H 2.613922 -0.061999 0.842041
H 2.889379 -2.592260 1.031854
H 4.298182 -3.336905 0.189056
H -0.080307 0.169210 -2.557550
H -1.046289 -1.114857 -3.302742
H -0.628079 -0.847415 -0.250104
H -1.707161 -1.997101 -1.063636
H -3.040961 -0.072889 -2.026740
H 5.777022 -1.986339 1.304916
H 4.630920 -0.928109 2.182826
H 5.618985 1.091503 1.044079
H 6.659023 0.039501 0.046941
H -4.842885 -1.341532 -1.141966
H -2.294129 1.884732 -3.132144
H 6.761413 0.191449 3.142344
H 7.874259 -0.745813 2.091294
H -3.595613 0.005156 3.521830
H -0.574613 3.761314 1.182375
H -1.319301 4.192646 -3.080353
H -5.642146 -1.398841 3.131432
H -0.426652 5.126646 -0.917187
H 7.684959 2.122399 1.990099


