%chk=000113040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113040

0 1
 Cl  -4.922500       1.920400      -2.099800    
 S   -8.895500     -0.3287000      0.7918000    
 O   -8.944300      -1.171800       1.977800    
 O   -9.313300       1.064100      0.8775000    
 O  -0.7339000      0.9669000       1.061200    
 N    5.827000       1.199200     -0.1715000    
 N    1.049600      0.4718000     -0.3920000    
 N   -2.570000     -7.2400004E-02 -0.5494000    
 N   -3.367100     -0.5803000      -1.367300    
 C    6.880700      0.4621000      0.4914000    
 C    6.114000       1.811000      -1.468400    
 C    4.553800       1.320500      0.3986000    
 C    6.752400      -1.001300      0.2332000    
 C    3.436200      0.8360000     -0.2810000    
 C    4.403200       1.925800       1.646300    
 C    6.602500       3.234100      -1.278100    
 C    2.167900      0.9566000      0.2874000    
 C    5.996200      -1.797600       1.093400    
 C    7.388000      -1.573600     -0.8688000    
 C    3.134900       2.046400       2.214400    
 C    2.017400       1.562000       1.535000    
 C    5.876000      -3.166100      0.8519000    
 C    7.267600      -2.942100      -1.110300    
 C    6.511500      -3.738300     -0.2499000    
 C   -7.272300     -0.3940000      0.1519000    
 C  -0.2945000      0.5017000      1.4700000E-02
 C   -6.786400      0.6561000     -0.6273000    
 C   -6.461000      -1.496100      0.4214000    
 C   -1.191200     -0.1358000      -1.026700    
 C   -4.677700     -0.4986000     -0.8677000    
 C   -5.489000      0.6037000      -1.137200    
 C   -5.163800      -1.548500     -8.8399999E-02
 C   -9.896300      -1.093300     -0.4640000    
 H    6.887300      0.6531000       1.572500    
 H    7.866000      0.8089000      0.1513000    
 H    6.882400       1.237400      -1.999300    
 H    5.232100       1.810400      -2.119200    
 H    3.550700      0.3523000      -1.248700    
 H    5.261500       2.318200       2.185500    
 H    5.841700       3.852700     -0.7906000    
 H    7.505200       3.264700     -0.6589000    
 H    6.838700       3.687600      -2.245800    
 H    5.496600      -1.365700       1.956500    
 H    7.982600     -0.9668000      -1.546300    
 H    3.018800       2.520100       3.185000    
 H    1.070300       1.693000       2.039100    
 H    1.243400      4.4700000E-02  -1.295500    
 H    5.287400      -3.786100       1.521800    
 H    7.762900      -3.388000      -1.967800    
 H    6.417900      -4.803800     -0.4379000    
 H   -7.416700       1.514700     -0.8461000    
 H   -6.820800      -2.328300       1.019800    
 H  -0.8786000      -1.176400      -1.172200    
 H   -1.081800      0.4124000      -1.969800    
 H   -4.541000      -2.413300      0.1257000    
 H   -9.558000      -2.120800     -0.6108000    
 H   -9.807300     -0.5190000      -1.388000    
 H   -10.93310      -1.088400     -0.1207000    


%chk=000113040-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113040

0 1
Cl -6.536627 -1.207299 -2.552497
S -5.823564 3.449189 0.458169
O -4.576041 4.494141 0.624775
O -7.182586 3.808125 -0.377304
O -0.205537 -4.700547 -2.197879
N 3.644172 0.099651 0.691805
N 0.159317 -2.443187 -1.594506
N -2.311876 -1.717181 -2.309196
N -3.588710 -1.655739 -2.090415
C 4.776162 0.181599 1.624514
C 2.999109 1.378425 0.338922
C 3.161262 -1.132645 0.218789
C 6.140226 0.467038 0.980873
C 1.906192 -1.226257 -0.451180
C 3.917791 -2.338523 0.378378
C 1.867015 1.801919 1.306422
C 1.426453 -2.467436 -0.939784
C 6.379422 0.207163 -0.390134
C 7.194441 0.985012 1.775592
C 3.415352 -3.561546 -0.102176
C 2.173403 -3.659249 -0.766105
C 7.651740 0.454179 -0.955431
C 8.467150 1.229772 1.213962
C 8.700365 0.963993 -0.156007
C -5.105742 1.861126 -0.307659
C -0.549753 -3.484908 -2.158097
C -5.981204 1.031888 -1.022681
C -3.725410 1.626943 -0.182459
C -1.875346 -3.033592 -2.823951
C -4.047572 -0.421288 -1.510171
C -5.435217 -0.123873 -1.615373
C -3.203488 0.472992 -0.793227
C -6.366087 2.932455 2.221955
H 4.829687 -0.756247 2.209656
H 4.562205 0.978687 2.365123
H 3.784554 2.157669 0.328809
H 2.616401 1.318995 -0.697009
H 1.284630 -0.334155 -0.586358
H 4.910270 -2.315216 0.837143
H 1.058733 1.049685 1.333796
H 2.251565 1.916940 2.336235
H 1.434875 2.771432 0.995859
H 5.565673 -0.183367 -1.010798
H 7.018962 1.200459 2.837996
H 4.018961 -4.466858 0.028636
H 1.793140 -4.608816 -1.143751
H -0.326355 -1.537385 -1.659349
H 7.823626 0.247386 -2.017862
H 9.272127 1.632133 1.839495
H 9.685985 1.156051 -0.594473
H -7.037206 1.296013 -1.139699
H -3.090301 2.342434 0.349962
H -2.640997 -3.819327 -2.699163
H -1.663315 -2.920124 -3.906702
H -2.138383 0.231666 -0.726742
H -5.466179 2.584223 2.746911
H -7.127820 2.149300 2.107612
H -6.777351 3.849582 2.666446


