%chk=000060921.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060921

0 1
 Br  -1.437500      -2.220600      -1.659200    
 S   -5.375800      0.7466000      -1.515800    
 F   -3.066200       1.904900      -1.253900    
 F   -4.791700       3.178700     -0.8593000    
 F   -4.193200       1.678700      0.6035000    
 O    3.019500      -1.866500      -1.630300    
 O   -1.950300      0.2865000       1.510700    
 O   -6.651300      0.7703000     -0.8280000    
 O   -5.299700       1.009700      -2.940700    
 N    4.071900      0.8802000     -0.1794000    
 N    5.763000      0.2105000       1.094500    
 N    4.487600     -0.7952000      -2.989600    
 N   -4.525400     -0.7119000      -1.191300    
 C    6.371100      -2.066100      4.9400002E-02
 C    7.774500      -2.099400      0.5798000    
 C    7.531600      -2.111000     -0.9011000    
 C    5.576700     -0.7782000      0.1698000    
 C    4.527800     -0.3423000     -0.6051000    
 C    4.836800       1.184700      0.8453000    
 C    2.970500       1.654900     -0.7591000    
 C    4.692900       2.435300       1.618200    
 C    3.953500      -1.039700      -1.720700    
 C    1.661000       1.318100     -0.1249000    
 C    6.037500       3.114400       1.901700    
 C   0.8798000      0.2871000     -0.6645000    
 C    1.234200       2.034600      0.9962000    
 C  -0.3500000     -1.6899999E-02 -5.5000000E-02
 C  -0.7396000      0.7196000       1.059000    
 C   1.5000000E-02   1.749400       1.618000    
 C   -1.394500     -0.9508000     -0.2846000    
 C   -2.338400     -0.7246000      0.6903000    
 C   -3.608000      -1.313600       1.015600    
 C   -4.663800      -1.306200      0.1039000    
 C   -3.774000      -1.900500       2.270100    
 C   -5.885300      -1.885900      0.4468000    
 C   -4.995700      -2.480000       2.612900    
 C   -6.051400      -2.472700       1.701300    
 C   -4.313200       1.917600     -0.7245000    
 H    5.789800      -2.975500      0.1594000    
 H    8.203000      -1.201800       1.008900    
 H    8.117300      -3.018100       1.040700    
 H    7.710500      -3.036800      -1.434400    
 H    7.787400      -1.218600      -1.459500    
 H    3.203700       2.721400     -0.6867000    
 H    2.948200       1.445100      -1.835300    
 H    4.207900       2.204000       2.573900    
 H    4.070600       3.181300       1.121200    
 H    6.550900       3.370500      0.9686000    
 H    5.883200       4.035100       2.473200    
 H    6.696600       2.460600       2.482800    
 H    1.186800     -0.2404000      -1.559400    
 H    1.835800       2.843100       1.400900    
 H    4.121600      -1.267800      -3.809200    
 H    5.252400     -0.1438000      -3.134800    
 H  -0.3248000       2.303000       2.485200    
 H   -2.962200      -1.918900       2.993700    
 H   -3.601700     -0.8039000      -1.629700    
 H   -6.713800      -1.903200     -0.2566000    
 H   -5.124600      -2.938300       3.589100    
 H   -7.001300      -2.927200       1.966900    


%chk=000060921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060921

0 1
Br -1.076715 -2.261153 -1.090785
S -5.626097 -0.291900 -1.966254
F -4.002922 1.809388 -0.786820
F -5.401058 2.607676 -2.395071
F -6.222718 2.076781 -0.340274
O 3.032900 0.038448 -2.977342
O -1.934523 0.783389 1.640609
O -7.120521 -0.649557 -1.470047
O -5.192592 -0.341626 -3.519332
N 4.185511 1.009583 -0.384394
N 5.823061 -0.004822 0.809515
N 5.016183 -1.110877 -3.332683
N -4.369393 -1.471300 -1.003767
C 6.496124 -1.871691 -0.742972
C 7.651255 -2.270126 0.176439
C 7.976240 -1.711273 -1.211514
C 5.682009 -0.671484 -0.409652
C 4.672898 -0.053830 -1.182509
C 4.916135 1.004290 0.800887
C 3.117758 1.983488 -0.738247
C 4.713005 1.995688 1.915514
C 4.169723 -0.356450 -2.537254
C 1.772446 1.688139 -0.078175
C 5.750935 1.835532 3.044760
C 1.027227 0.557758 -0.484260
C 1.263684 2.569594 0.923756
C -0.216642 0.318014 0.141564
C -0.684295 1.210008 1.148233
C 0.020256 2.348436 1.556148
C -1.247340 -0.694383 0.019893
C -2.275683 -0.404202 0.913203
C -3.535083 -1.029420 1.328050
C -4.511664 -1.538745 0.398260
C -3.814907 -1.118486 2.717199
C -5.708948 -2.140509 0.889218
C -5.014155 -1.690144 3.187074
C -5.961287 -2.209138 2.269182
C -5.299170 1.735258 -1.320142
H 5.937000 -2.693535 -1.205828
H 7.816539 -1.618458 1.037533
H 7.817037 -3.335896 0.355380
H 8.354623 -2.399622 -1.974609
H 8.372652 -0.693129 -1.267989
H 3.472828 2.988774 -0.449171
H 3.006357 1.944446 -1.833090
H 3.690248 1.879429 2.327389
H 4.760107 3.028025 1.509263
H 6.775324 1.986878 2.664627
H 5.557657 2.570054 3.846940
H 5.708000 0.820403 3.472449
H 1.409416 -0.085861 -1.283814
H 1.850335 3.452695 1.203554
H 4.686905 -1.368119 -4.262378
H 5.958197 -1.363800 -3.033164
H -0.372949 3.024983 2.319112
H -3.075502 -0.731260 3.424867
H -3.441560 -1.173400 -1.358170
H -6.425215 -2.534449 0.163603
H -5.204724 -1.742579 4.263887
H -6.887714 -2.666431 2.630503


