%chk=000148849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148849

0 1
 Br   3.902800      -5.131200      0.4047000    
 S   -6.016500     -0.5273000      0.3407000    
 O   -7.369900     -0.1362000      0.6882000    
 O   -5.730300      -1.126200     -0.9478000    
 N   0.3128000      0.5332000      -1.276600    
 N    4.001800      8.4700003E-02  0.6618000    
 N   -4.969300      0.8056000      0.6463000    
 C    1.563200      0.3812000     -0.6185000    
 C    2.077900     -0.9000000     -0.3955000    
 C    2.269200       1.513900     -0.2007000    
 C    3.317900      -1.003000      0.2574000    
 C    3.501600       1.316400      0.4446000    
 C   -1.002400      0.6003000     -0.7986000    
 C    1.390000      -2.055600     -0.8046000    
 C    1.775700       2.813300     -0.4116000    
 C    3.835400      -2.275900      0.4823000    
 C    4.209000       2.440300      0.8631000    
 C   -2.071100      0.7572000      -1.688400    
 C   -1.260400      0.5122000      0.5742000    
 C   -3.629600      0.7368000      0.1577000    
 C    1.929200      -3.316600     -0.5677000    
 C    2.502500       3.920200      1.6400000E-02
 C    3.154400      -3.426500      7.7299997E-02
 C    3.721600       3.732900      0.6550000    
 C   -3.380300      0.8254000      -1.211900    
 C   -2.569700      0.5802000       1.050800    
 C   -5.465500      -1.655100       1.601300    
 H   0.4066000      0.6013000      -2.285800    
 H   0.4321000      -2.005400      -1.315500    
 H   0.8284000       2.995800     -0.9119000    
 H    4.796200      -2.370400      0.9872000    
 H    5.166900       2.319800       1.365800    
 H   -1.892200      0.8307000      -2.758300    
 H  -0.4545000      0.3896000       1.293200    
 H    1.383400      -4.198200     -0.8925000    
 H    2.119900       4.922700     -0.1486000    
 H   -4.194200      0.9603000      -1.919400    
 H   -2.752200      0.5086000       2.119900    
 H    4.297000       4.589900      0.9928000    
 H   -5.049900       1.217300       1.585800    
 H   -5.559900      -1.173300       2.576300    
 H   -6.106300      -2.539100       1.563500    
 H   -4.432300      -1.943400       1.402100    


%chk=000148849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148849

0 1
Br 5.160748 -5.045343 -0.234796
S -6.308924 0.125402 0.486752
O -7.619374 0.776613 1.194364
O -6.359842 -0.517212 -1.004956
N 0.247331 -0.092774 -1.236163
N 4.110509 0.075584 0.667407
N -4.919490 1.600145 0.402735
C 1.497260 -0.012823 -0.572403
C 2.303880 -1.193010 -0.484749
C 2.012173 1.222142 -0.058798
C 3.624375 -1.082897 0.125316
C 3.323549 1.196386 0.586405
C -1.016077 0.340038 -0.779273
C 1.868995 -2.484102 -0.945314
C 1.341211 2.487020 -0.197231
C 4.469849 -2.247836 0.187178
C 3.854005 2.416496 1.136209
C -2.106746 0.350489 -1.699332
C -1.248799 0.724917 0.572761
C -3.622634 1.152315 0.056971
C 2.699498 -3.599440 -0.869288
C 1.897581 3.650815 0.327062
C 4.011822 -3.458292 -0.309431
C 3.157064 3.614262 1.017687
C -3.385555 0.755404 -1.294129
C -2.537417 1.101826 0.983244
C -5.637836 -1.268290 1.646444
H 0.232772 -0.658135 -2.088152
H 0.853793 -2.613937 -1.335863
H 0.387762 2.535667 -0.729687
H 5.458595 -2.127754 0.636196
H 4.828851 2.355137 1.628975
H -1.937028 0.060815 -2.743598
H -0.429873 0.704660 1.297119
H 2.356213 -4.577818 -1.216444
H 1.375979 4.606136 0.205182
H -4.217759 0.786452 -2.002903
H -2.707560 1.378551 2.031895
H 3.573058 4.538326 1.433328
H -4.983900 2.011045 1.355357
H -5.628697 -0.853781 2.663744
H -6.352912 -2.095689 1.538533
H -4.637447 -1.531113 1.276147


