%chk=000176156.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176156

0 1
 Cl   5.723400      -1.954400     -0.3164000    
 S   -3.939300     -0.6381000      0.5011000    
 O   -5.063800     -0.4699000     -0.4048000    
 O   -4.031100      -1.588900       1.596700    
 N   -3.500900      0.8876000       1.128500    
 N   -1.430200       3.547700     -0.4649000    
 N    1.203900      -2.064700       1.260100    
 C   -2.523600      -1.066300     -0.4473000    
 C   -3.195300       1.998500      0.2158000    
 C   -1.290100      -1.395800      0.1380000    
 C   -1.755300       2.442500      0.4278000    
 C  -0.2019000      -1.727500     -0.6954000    
 C   -2.673600      -1.066100      -1.835200    
 C  -0.3642000      -1.723900      -2.090700    
 C   -1.108100      -1.405500       1.525700    
 C   -1.596300      -1.394000      -2.655000    
 C  -6.3000001E-02   4.002400     -0.2529000    
 C    1.008100      -2.049500     -7.7600002E-02
 C   0.1403000      -1.742200       2.026400    
 C   0.9272000       2.902700     -0.4984000    
 C    1.770100       2.447700      0.4423000    
 C    2.746300       1.361400      0.2549000    
 C    3.139200       1.014700      -1.028200    
 C    3.253800      0.7050000       1.365200    
 C    4.063500     -1.4800000E-02  -1.205500    
 C    4.178100     -0.3245000       1.187700    
 C    4.582900     -0.6844000     -9.7599998E-02
 H   -3.884500       2.818700      0.4490000    
 H   -3.372700       1.718800     -0.8276000    
 H   -3.251400      0.9957000       2.118600    
 H   -1.107500       1.579600      0.2455000    
 H   -1.617100       2.742000       1.474700    
 H   -3.613800     -0.8115000      -2.315100    
 H   -2.073600       4.322000     -0.3033000    
 H   0.4670000      -1.976100      -2.745200    
 H   -1.862500      -1.131800       2.249600    
 H   -1.714600      -1.391700      -3.734700    
 H   4.4199999E-02   4.426300      0.7532000    
 H   0.1474000       4.815000     -0.9575000    
 H    1.881800      -2.323200     -0.6620000    
 H   0.3245000      -1.751300       3.095800    
 H   0.9083000       2.477000      -1.497600    
 H    1.737200       2.886500       1.437200    
 H    2.777700       1.521100      -1.917400    
 H    2.945900      0.9717000       2.372700    
 H    4.372900     -0.2827000      -2.212600    
 H    4.573100     -0.8386000       2.060100    


%chk=000176156-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176156

0 1
Cl 5.309274 -0.826425 -3.962825
S -3.095962 -0.420991 -0.813133
O -2.639290 0.354487 -2.176859
O -4.314166 -1.505369 -0.827473
N -3.632364 0.829342 0.501030
N -1.382985 3.881035 0.476170
N -1.429666 -3.720019 3.392510
C -1.521579 -1.182094 -0.078477
C -3.189706 2.222646 0.199747
C -1.579668 -2.023447 1.076288
C -1.817567 2.518507 0.835543
C -0.309606 -2.553786 1.538086
C -0.348739 -0.879792 -0.759576
C 0.901573 -2.240467 0.841360
C -2.756869 -2.385560 1.808433
C 0.887687 -1.421406 -0.288466
C 0.066317 4.163073 0.585329
C -0.321007 -3.393273 2.704880
C -2.633482 -3.210971 2.927565
C 0.843762 3.375448 -0.448518
C 1.942919 2.619589 -0.167889
C 2.735458 1.812878 -1.116902
C 2.362517 1.620582 -2.479576
C 3.918742 1.169685 -0.654745
C 3.137523 0.822655 -3.344554
C 4.709470 0.369544 -1.507385
C 4.304591 0.206072 -2.845942
H -3.962979 2.894162 0.623640
H -3.133400 2.425141 -0.889349
H -4.666022 0.718036 0.471578
H -1.072083 1.810223 0.430292
H -1.873811 2.332163 1.933634
H -0.384876 -0.237432 -1.646105
H -1.961621 4.614191 0.902502
H 1.845192 -2.659736 1.209692
H -3.740787 -2.039873 1.483307
H 1.812307 -1.181449 -0.821791
H 0.489447 3.958756 1.599662
H 0.198713 5.247475 0.392957
H 0.625300 -3.806590 3.078055
H -3.515458 -3.505918 3.504916
H 0.438931 3.443814 -1.467985
H 2.290653 2.591306 0.876324
H 1.456130 2.092462 -2.873369
H 4.228278 1.301547 0.389000
H 2.841201 0.679516 -4.387809
H 5.620107 -0.112536 -1.140074


