%chk=000082978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082978

0 1
 Cl  -3.588900      -2.606000      -1.034800    
 S    7.133200      0.3019000     -8.4200002E-02
 O    7.623800       1.204900      0.9472000    
 O    7.727200      -1.020200     -0.2293000    
 N   -4.865100     -0.2697000      0.3854000    
 N   0.6711000      0.1956000     -0.3455000    
 N    1.273200     -0.2918000      0.6388000    
 N   -5.482400       3.111800     -0.9763000    
 C   -3.468400     -0.1823000      0.1856000    
 C   -5.760400     -0.3701000     -0.7480000    
 C   -5.414600     -0.2455000       1.724500    
 C   -2.759200      -1.196700     -0.4578000    
 C   -1.381100      -1.078000     -0.6381000    
 C   -2.799600      0.9508000      0.6487000    
 C   -6.731900      0.8051000     -0.7792000    
 C  -0.7123000      5.5100001E-02 -0.1749000    
 C   -4.912000      -1.420900       2.545600    
 C   -1.421600       1.069400      0.4684000    
 C  -0.5997000      -2.154900      -1.325900    
 C    5.409300      0.1272000      0.1290000    
 C    2.661100     -0.1513000      0.4681000    
 C    4.680300       1.129400      0.7696000    
 C    4.760700      -1.014500     -0.3416000    
 C    3.302900      0.9896000      0.9395000    
 C    3.383200      -1.154000     -0.1718000    
 C   -6.032400       2.093800     -0.8893000    
 C    7.303400       1.121200      -1.653800    
 H   -6.329900      -1.305300     -0.6870000    
 H   -5.214200     -0.3839000      -1.700100    
 H   -5.174400      0.6966000       2.230300    
 H   -6.507700     -0.3144000       1.705600    
 H   -3.333800       1.756400       1.145300    
 H   -7.394500      0.6863000      -1.645100    
 H   -7.384100      0.8174000      9.9799998E-02
 H   -5.139800      -2.372300       2.053100    
 H   -3.829900      -1.373300       2.704800    
 H   -5.391300      -1.425500       3.529900    
 H  -0.9105000       1.957800      0.8308000    
 H  -0.4974000      -3.023800     -0.6674000    
 H   -1.090200      -2.462600      -2.255800    
 H   0.4053000      -1.843400      -1.624500    
 H    5.163300       2.030200       1.137800    
 H    5.307700      -1.804200     -0.8488000    
 H    2.742300       1.775400       1.438700    
 H    2.886000      -2.046700     -0.5415000    
 H    6.866000      0.4930000      -2.432000    
 H    6.799300       2.088300      -1.605900    
 H    8.368600       1.265800      -1.846700    


%chk=000082978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082978

0 1
Cl -4.121052 -1.313283 -2.511471
S 7.268610 1.065192 -0.413922
O 7.468811 1.668903 -1.922788
O 7.813452 1.835247 0.924493
N -5.048974 -0.624273 0.404256
N 0.544101 -0.083131 -0.566117
N 1.305978 0.121815 0.485572
N -4.708241 3.176228 0.880894
C -3.664498 -0.514634 0.159992
C -6.034062 0.106550 -0.414465
C -5.531120 -1.105864 1.724346
C -3.069359 -0.717184 -1.124439
C -1.689918 -0.577957 -1.389079
C -2.761484 -0.224124 1.234670
C -6.595458 1.392762 0.281302
C -0.835489 -0.248479 -0.281291
C -4.992053 -2.501033 2.094686
C -1.392063 -0.093356 1.023041
C -1.122133 -0.814832 -2.772270
C 5.417013 0.738580 -0.171723
C 2.688689 0.328659 0.176325
C 4.613404 0.597822 -1.319328
C 4.915964 0.717290 1.140392
C 3.233945 0.387399 -1.140621
C 3.532189 0.505345 1.307501
C -5.554545 2.380070 0.609536
C 8.068320 -0.677488 -0.407993
H -6.897352 -0.547782 -0.643940
H -5.576252 0.394663 -1.370704
H -5.307577 -0.379638 2.536690
H -6.633530 -1.162428 1.652209
H -3.174241 -0.044766 2.231826
H -7.334520 1.861051 -0.397301
H -7.135032 1.127214 1.209739
H -5.265051 -3.237752 1.319621
H -3.893757 -2.503023 2.197048
H -5.424335 -2.826934 3.058137
H -0.715510 0.167238 1.841893
H -1.299694 -1.856921 -3.096255
H -1.613819 -0.163628 -3.517047
H -0.041015 -0.619086 -2.769775
H 5.061208 0.685296 -2.315350
H 5.582408 0.893170 1.991246
H 2.560799 0.276032 -1.995138
H 3.076640 0.479013 2.302183
H 7.851951 -1.126759 0.570784
H 7.627339 -1.237346 -1.243955
H 9.141914 -0.492139 -0.552211


