%chk=000091771.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091771

0 1
 Br  -9.566900       1.847800       1.240800    
 S    3.756400       2.789600       1.419000    
 O    1.211400       2.185100       1.555400    
 O    3.731600     -0.9626000     -0.8990000    
 C  -9.2699997E-02  -1.168700      -1.931400    
 C    1.256100     -0.1935000      1.1900000E-02
 C    1.005100     -0.1795000      -1.506500    
 C   0.3543000      -2.591800      -1.547200    
 C    1.353900      -1.599000      0.5832000    
 C   0.9102000      -2.718500     -0.1481000    
 C   -1.476500     -0.7281000      -1.468300    
 C    2.475500      0.6513000      0.2896000    
 C    1.818700      -1.794900       1.897200    
 C    1.005500      -4.001600      0.4169000    
 C   -2.223200      0.1498000      -2.250600    
 C   -1.988800      -1.204900     -0.2639000    
 C    3.732900      0.1233000     -0.3235000    
 C    2.422900       1.773200       1.025400    
 C    1.895100      -3.072900       2.451900    
 C    1.495700      -4.177300       1.708800    
 C    4.982700      0.9095000     -0.2583000    
 C   -3.489300      0.5531000      -1.826300    
 C   -3.254900     -0.8015000      0.1604000    
 C   -4.005000      7.7500001E-02 -0.6208000    
 C    5.080100       2.093700      0.4726000    
 C    6.099600      0.4300000     -0.9652000    
 C   -5.318600      0.4951000     -0.1807000    
 C    6.303700       2.785700      0.4842000    
 C    7.306100       1.127700     -0.9457000    
 C    7.408600       2.307500     -0.2205000    
 C   -6.299300      0.8139000      -1.119700    
 C   -5.603900      0.5794000       1.182100    
 C   -7.565600       1.217300     -0.6961000    
 C   -6.870300      0.9826000       1.605900    
 C   -7.851200       1.301400      0.6667000    
 H  -0.1359000      -1.164200      -3.030900    
 H   0.3728000      0.2484000      0.4899000    
 H   0.7246000      0.8388000      -1.811400    
 H    1.891600     -0.4206000      -2.101600    
 H    1.152200      -2.905000      -2.234300    
 H  -0.4805000      -3.290900      -1.684600    
 H    2.125800     -0.9503000       2.509100    
 H   0.6859000      -4.873300     -0.1495000    
 H   -1.828200      0.5343000      -3.187000    
 H   -1.457800      -1.899900      0.3724000    
 H    2.265000      -3.203300       3.464700    
 H    1.557200      -5.173500       2.136700    
 H   -4.023100       1.262800      -2.452200    
 H   -3.628900      -1.223100       1.089400    
 H    6.049400     -0.4893000      -1.543600    
 H    1.404400       3.000200       2.050600    
 H    6.414200       3.711300       1.046400    
 H    8.162400      0.7496000      -1.496100    
 H    8.345500       2.856000     -0.2001000    
 H   -6.132900      0.7336000      -2.190500    
 H   -4.863200      0.3709000       1.949200    
 H   -8.321100       1.456100      -1.440300    
 H   -7.075000       1.049700       2.671300    


%chk=000091771-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091771

0 1
Br -9.572820 2.119171 1.578949
S 3.570314 3.106974 0.976536
O 1.013595 2.261072 0.987003
O 3.906882 -0.923343 -1.112632
C -0.146126 -1.389380 -2.103689
C 1.265635 -0.246279 -0.276943
C 0.976564 -0.352631 -1.799054
C 0.339530 -2.780280 -1.631516
C 1.397561 -1.617037 0.406270
C 0.908547 -2.798358 -0.215698
C -1.500983 -0.940186 -1.546449
C 2.480064 0.654848 -0.023976
C 1.931014 -1.700525 1.716577
C 0.978102 -4.027712 0.486727
C -2.185173 0.128001 -2.186838
C -2.118804 -1.522987 -0.410778
C 3.802488 0.187835 -0.487813
C 2.294058 1.867858 0.598761
C 2.002030 -2.928344 2.406136
C 1.522145 -4.105019 1.785821
C 5.044660 0.992158 -0.224123
C -3.423502 0.601029 -1.713319
C -3.361538 -1.053701 0.064774
C -4.040626 0.019503 -0.571053
C 5.081833 2.261446 0.404523
C 6.285319 0.430719 -0.642729
C -5.351258 0.514819 -0.063890
C 6.297820 2.956956 0.612433
C 7.500038 1.104901 -0.443237
C 7.507215 2.375850 0.187651
C -6.334033 1.038504 -0.948923
C -5.662196 0.480588 1.323736
C -7.576684 1.512437 -0.476577
C -6.899895 0.947057 1.815511
C -7.846374 1.461150 0.906084
H -0.249843 -1.428846 -3.207776
H 0.390734 0.251526 0.183263
H 0.688898 0.646372 -2.176564
H 1.894091 -0.670028 -2.323882
H 1.139876 -3.106359 -2.326855
H -0.472386 -3.527985 -1.719916
H 2.300659 -0.787474 2.199469
H 0.600873 -4.937417 0.001454
H -1.734362 0.598934 -3.069985
H -1.634146 -2.354748 0.110164
H 2.424311 -2.968192 3.416690
H 1.568428 -5.067041 2.308634
H -3.903768 1.446946 -2.218836
H -3.822680 -1.552567 0.925133
H 6.239442 -0.550266 -1.126603
H 1.000947 3.104871 1.505980
H 6.297544 3.937532 1.100757
H 8.440372 0.651488 -0.772833
H 8.449544 2.910239 0.348371
H -6.142737 1.050494 -2.027350
H -4.918317 0.111340 2.037816
H -8.322633 1.902639 -1.174980
H -7.115949 0.919449 2.887391


