%chk=000117701.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117701

0 1
 Br   2.061400       3.165800       1.495600    
 S    2.140000      -1.383100      -1.810500    
 O   0.9508000     -0.7352000      -2.341100    
 O    3.113200      -1.971400      -2.718000    
 O   -3.521400      -2.987800       1.547700    
 O    7.008300     -0.5807000     -8.9900002E-02
 O    7.001800       1.192700       1.203900    
 N   -5.237600      0.9430000     -0.4187000    
 N   -1.553200      -1.736300       1.206900    
 N   0.2554000      0.3193000      0.4799000    
 N   0.8912000      0.9596000     -0.3890000    
 N    6.407600      0.3707000      0.4653000    
 C   -3.855600      0.7806000     -0.1899000    
 C   -6.175400      0.8922000      0.6854000    
 C   -5.739900       1.149100      -1.762600    
 C   -3.378400     -0.3926000      0.3946000    
 C   -2.011400     -0.5532000      0.6207000    
 C   -2.965800       1.793300     -0.5481000    
 C   -1.121600      0.4595000      0.2627000    
 C   -6.360900       2.276100       1.277200    
 C   -6.038300     -0.1852000      -2.418900    
 C   -1.598800       1.632700     -0.3217000    
 C    2.959700     -0.2309000     -0.7777000    
 C    2.272400      0.8189000     -0.1707000    
 C    4.330500     -0.3794000     -0.5668000    
 C    5.012000      0.5221000      0.2507000    
 C    2.951900       1.720500      0.6466000    
 C    1.617100      -2.669100     -0.7008000    
 C    4.322800       1.572100      0.8574000    
 C   -2.305700      -2.841400       1.621700    
 C   -1.432200      -3.921900       2.208200    
 H   -5.847400      0.2008000       1.469900    
 H   -7.147000      0.5185000      0.3400000    
 H   -5.030400       1.710900      -2.380800    
 H   -6.658300       1.748000      -1.735200    
 H   -4.116000      -1.145200      0.6325000    
 H   -3.322500       2.720000     -0.9902000    
 H   -7.086600       2.245100       2.095900    
 H   -6.726300       2.984700      0.5265000    
 H   -5.418500       2.667200       1.675000    
 H   -6.438500     -3.1900000E-02  -3.426000    
 H   -6.774900     -0.7565000      -1.844500    
 H   -5.133800     -0.7968000      -2.503900    
 H  -0.9472000       2.459200     -0.5942000    
 H    4.856400      -1.206400      -1.037000    
 H  -0.5509000      -1.776500       1.370800    
 H    2.501800      -3.170800     -0.3032000    
 H    1.033400      -2.239400      0.1072000    
 H    1.009900      -3.379600      -1.265500    
 H    4.838500       2.284200       1.498000    
 H  -0.8977000      -3.533400       3.079700    
 H   -2.049000      -4.769800       2.518800    
 H  -0.7115000      -4.262400       1.459300    


%chk=000117701-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117701

0 1
Br 2.676445 3.261609 1.599723
S 1.967340 -1.586329 -1.654640
O 0.719219 -0.803520 -2.356977
O 3.075553 -2.374115 -2.566344
O -3.548890 -2.429614 2.495574
O 7.133598 -0.881614 -0.798606
O 7.468549 1.081363 0.326482
N -5.277814 0.837635 -0.679847
N -1.601471 -1.345127 1.760898
N 0.193973 0.169834 0.459431
N 1.069550 1.097853 0.120094
N 6.702495 0.181670 -0.203021
C -3.931604 0.715650 -0.384383
C -6.284699 -0.120265 -0.157725
C -5.802446 1.924334 -1.542562
C -3.480012 -0.280491 0.543989
C -2.114887 -0.418919 0.828764
C -2.953128 1.582720 -1.005351
C -1.140562 0.439067 0.188209
C -6.827723 0.264074 1.236975
C -5.798190 1.564204 -3.045557
C -1.602919 1.443010 -0.715939
C 3.003433 -0.350544 -0.585820
C 2.424342 0.772361 0.089226
C 4.379586 -0.555078 -0.715228
C 5.244654 0.382056 -0.115138
C 3.366259 1.707295 0.642723
C 1.269043 -2.895134 -0.451442
C 4.748321 1.522389 0.561781
C -2.292362 -2.280051 2.539457
C -1.390714 -3.105828 3.453021
H -5.849014 -1.134242 -0.136174
H -7.115921 -0.151091 -0.885982
H -5.227623 2.848961 -1.361133
H -6.836875 2.133862 -1.213679
H -4.173310 -0.934058 1.070903
H -3.260367 2.328319 -1.741779
H -7.593065 -0.465281 1.557854
H -7.293117 1.266143 1.220483
H -6.023437 0.269329 1.991719
H -6.223099 2.395022 -3.637565
H -6.405993 0.662051 -3.238125
H -4.775128 1.366679 -3.409126
H -0.851966 2.068734 -1.206897
H 4.770281 -1.396021 -1.299921
H -0.581438 -1.268787 1.873106
H 2.128967 -3.306786 0.094826
H 0.553410 -2.367999 0.190514
H 0.795471 -3.642673 -1.103589
H 5.453369 2.228602 1.006418
H -0.819551 -2.458957 4.144130
H -2.016833 -3.790537 4.042278
H -0.666301 -3.701869 2.867173


