%chk=000177193.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177193

0 1
 Br -0.2383000       4.887100      0.4648000    
 Cl  -1.537800      -1.137200      -2.466800    
 S    1.657400       2.378800     -9.8999999E-03
 O   0.9579000      -1.196500       2.771400    
 O    5.110600      0.2623000      -1.783200    
 N    1.986900     -0.2612000      8.0200002E-02
 N  -0.6155000      -1.669400      0.9426000    
 N    2.824200      -2.295200      0.2680000    
 N    3.719300      -1.527900     -0.4343000    
 C    1.091500      0.7944000      0.1983000    
 C  -0.2608000      0.7050000      0.4712000    
 C    1.809300      -1.526100      0.6032000    
 C   0.7005000      -1.869400       1.534800    
 C   -1.046700     -0.5331000      0.5215000    
 C    3.226000     -0.3135000     -0.5098000    
 C  -0.7998000       2.035400      0.6147000    
 C   -2.446100     -0.4825000      2.1199999E-02
 C    3.902000      0.7835000      -1.233300    
 C   0.1294000       3.026600      0.3858000    
 C   -2.758300     -0.7415000      -1.310800    
 C   -3.451900     -0.1653000      0.9306000    
 C   -4.085300     -0.6828000      -1.736400    
 C   -4.778900     -0.1065000      0.5048000    
 C   -5.095700     -0.3652000     -0.8287000    
 H   0.7823000      -2.938700       1.761900    
 H   -1.835200       2.252000      0.8478000    
 H    3.302800       1.152200      -2.069700    
 H    4.198200       1.602600     -0.5746000    
 H   -3.218800      3.6200002E-02   1.973000    
 H   0.1652000      -1.317500       3.321300    
 H   -4.348900     -0.8815000      -2.772100    
 H   -5.565700      0.1403000       1.211700    
 H   -6.129000     -0.3193000      -1.160100    
 H    5.690400      1.4700000E-02  -1.042200    


%chk=000177193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177193

0 1
Br -0.277753 5.054410 0.267362
Cl -1.496316 0.533610 -2.508763
S 1.790270 2.588252 0.150775
O 0.795678 -0.636294 2.947319
O 5.074158 -0.143603 -2.056770
N 2.058066 -0.203753 0.230887
N -0.614601 -1.545059 1.139776
N 2.855766 -2.271926 0.696518
N 3.739681 -1.624789 -0.214210
C 1.178887 0.888130 0.252422
C -0.205132 0.826937 0.415738
C 1.863558 -1.407299 0.953137
C 0.690975 -1.624492 1.855496
C -0.991911 -0.430902 0.541281
C 3.252348 -0.398671 -0.476928
C -0.816636 2.140067 0.436804
C -2.393759 -0.432472 0.000669
C 3.958145 0.538427 -1.423185
C 0.084008 3.172271 0.310896
C -2.760519 0.000549 -1.298675
C -3.432193 -0.931091 0.835464
C -4.093999 -0.027851 -1.751190
C -4.773163 -0.961820 0.405724
C -5.107477 -0.501260 -0.888773
H 0.768108 -2.651397 2.252460
H -1.892367 2.290166 0.541396
H 3.259779 0.894515 -2.206900
H 4.333308 1.428456 -0.874397
H -3.151504 -1.299462 1.826790
H 0.200689 -0.921767 3.687109
H -4.330020 0.301380 -2.767014
H -5.552054 -1.344839 1.072619
H -6.145724 -0.520666 -1.235893
H 5.172902 -1.036956 -1.621046


