%chk=000153116.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153116

0 1
 Br   8.572700      -1.243100      -2.413400    
 Cl  -3.915600      -3.297900       1.196600    
 Cl  -5.349500       2.168200      -1.459000    
 S   -7.558400     -0.1831000      -1.236000    
 S    1.682500       3.397300      0.6382000    
 O   -1.555400       1.325500       1.409600    
 O   -7.406000     -0.1643000      -2.862200    
 O   0.3388000       2.832000     -9.9699996E-02
 O   -8.301000      -1.383900     -0.8894000    
 O   -8.015500       1.127200     -0.8065000    
 O    1.475400       3.254200       2.070600    
 O    2.009800       4.689000      5.7999998E-02
 O    5.542600      -2.269700      0.1162000    
 N   -2.060000     -0.9226000      0.8497000    
 N   -1.417700      -2.141100      0.8984000    
 N    1.059400      6.0999999E-03  0.8780000    
 N    2.007300      0.5075000       1.526500    
 N    6.043000     -0.2783000      -1.005100    
 C   1.2900000E-02 -0.5036000       1.746200    
 C  -0.2432000      -1.931700       1.403000    
 C   -1.280800      0.1393000       1.338900    
 C   -3.348200     -0.7607000      0.3656000    
 C   0.7645000      -3.003900       1.635500    
 C   -4.295800      -1.779600      0.4650000    
 C   -3.689200      0.4528000     -0.2314000    
 C   -5.925200     -0.3710000     -0.6293000    
 C   -4.977700      0.6478000     -0.7289000    
 C   -5.584300      -1.584600     -3.2400001E-02
 C    2.994700      0.9853000      0.6486000    
 C    2.958000       2.294300      0.1685000    
 C    4.023100      0.1277000      0.2580000    
 C    5.014700      0.5792000     -0.6129000    
 C    3.949600       2.745900     -0.7026000    
 C    4.978000       1.888300      -1.093100    
 C    6.254000      -1.612100     -0.6385000    
 C    7.478300      -2.229800      -1.261400    
 C    7.764200      -3.506600     -0.9694000    
 H   0.1871000     -0.3852000       2.820500    
 H   0.3437000      -3.981700       1.387100    
 H    1.642900      -2.822700       1.010900    
 H    1.064300      -2.997900       2.686600    
 H   -2.963900       1.246100     -0.3825000    
 H   -6.306600      -2.391900      5.2700002E-02
 H    3.992600     -0.8726000      0.6674000    
 H    3.951100       3.757000      -1.098400    
 H    5.743900       2.252900      -1.773000    
 H    6.723600      0.1308000      -1.641900    
 H   -7.034400     -0.9856000      -3.261900    
 H   0.1694000       1.867400      2.7000001E-03
 H    8.634700      -3.999900      -1.391700    
 H    7.150200      -4.106100     -0.3055000    


%chk=000153116-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153116

0 1
Br 9.172560 -0.801255 -2.619933
Cl -4.562201 -2.068790 2.602911
Cl -5.245683 1.068373 -2.966540
S -7.857649 -0.665469 -1.569796
S 2.000509 3.114608 1.346806
O -1.570136 1.683468 0.615987
O -7.372851 -1.652753 -3.055139
O 0.640479 3.323857 0.190478
O -8.730804 -1.584665 -0.569022
O -8.435377 0.760738 -2.055910
O 1.495571 2.505638 2.771829
O 2.747912 4.542522 1.342377
O 5.776155 -2.539931 -0.851947
N -2.310270 -0.556187 0.994464
N -1.726699 -1.807008 1.466453
N 1.001004 0.496653 1.088573
N 2.059780 -0.237138 1.041772
N 6.436009 -0.307565 -1.181200
C -0.187539 -0.044079 1.800160
C -0.508482 -1.527046 1.905308
C -1.424051 0.516544 1.076390
C -3.603878 -0.568855 0.406720
C 0.385361 -2.589330 2.459004
C -4.696425 -1.260819 0.996032
C -3.807007 0.145410 -0.800621
C -6.116612 -0.577136 -0.843617
C -5.064460 0.149508 -1.429212
C -5.948030 -1.283172 0.357976
C 3.163045 0.509631 0.489187
C 3.249608 1.928547 0.492855
C 4.223761 -0.258499 -0.039819
C 5.346290 0.392890 -0.612760
C 4.366413 2.577389 -0.055033
C 5.405260 1.813808 -0.618141
C 6.607563 -1.683679 -1.279527
C 7.882186 -2.152300 -1.945124
C 8.164432 -3.467206 -2.092458
H -0.128931 0.424510 2.807701
H -0.110805 -3.571454 2.413175
H 1.334441 -2.616343 1.894614
H 0.650492 -2.368538 3.510256
H -2.977431 0.698882 -1.246086
H -6.796754 -1.822076 0.792153
H 4.161844 -1.348028 -0.013943
H 4.422024 3.670189 -0.016603
H 6.273065 2.326266 -1.049456
H 7.193498 0.265796 -1.569483
H -8.074715 -1.503327 -3.753952
H -0.121473 2.681068 0.428385
H 9.078569 -3.826707 -2.569936
H 7.439030 -4.196334 -1.713409


