%chk=000064004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064004

0 1
 Br   7.321100      -3.402500     -0.1026000    
 Br   9.217100       1.915400     -0.5293000    
 S   -1.561900       2.674000      0.3958000    
 S    1.292300       1.772500     -0.1592000    
 O   -2.316300      0.3926000      -1.559800    
 O    3.838200       2.031100      0.1549000    
 N   -5.768700      0.8109000     -0.3510000    
 N    3.044200     -0.1850000      0.2659000    
 N    4.578400      -1.984800      0.1218000    
 N   0.7775000     -0.3485000       1.183000    
 N  -0.3874000      0.3983000       1.203400    
 C   -3.396700       1.088100     -0.9397000    
 C   -4.611100      0.1552000     -0.9160000    
 C   -2.994000       1.564500      0.4590000    
 C    5.404000      0.3155000     -4.1299999E-02
 C    5.624800      -1.063200     -8.5000005E-03
 C   -6.999100      0.1950000     -0.1940000    
 C    3.363600      -1.540700      0.2329000    
 C    4.021300      0.8170000      0.1163000    
 C    1.724700      0.2560000      0.5071000    
 C    6.471600       1.207600     -0.1954000    
 C   -7.193800      -1.142400     -0.5879000    
 C   -8.089100      0.8896000      0.3644000    
 C    6.934400      -1.541300     -0.1335000    
 C  -0.2545000       1.527300      0.5407000    
 C    2.273400      -2.592200      0.2677000    
 C   -9.500300      -1.057000      0.1257000    
 C   -8.433100      -1.762800     -0.4298000    
 C   -9.328300      0.2691000      0.5227000    
 C    7.770500      0.7168000     -0.3198000    
 C    8.002500     -0.6563000     -0.2878000    
 C   -10.82550      -1.719800      0.2939000    
 H   -3.628500       1.960100      -1.565200    
 H   -4.823000     -0.1737000      -1.941400    
 H   -4.355100     -0.7434000     -0.3398000    
 H   -3.807900       2.138700      0.9126000    
 H   -2.803400      0.7149000       1.121900    
 H   -5.713100       1.798100     -0.1265000    
 H    6.295500       2.280200     -0.2172000    
 H   -6.391200      -1.730100      -1.025200    
 H   -7.972300       1.924000      0.6801000    
 H    1.885600      -2.682100       1.286200    
 H    2.675900      -3.565300     -3.0800000E-02
 H    1.461800      -2.332700     -0.4170000    
 H   -2.596600      0.1549000      -2.460100    
 H   -8.554800      -2.796800     -0.7414000    
 H   -10.15170      0.8289000      0.9583000    
 H    9.017300      -1.036300     -0.3846000    
 H   -10.88090      -2.205700       1.273100    
 H   -11.64290     -0.9950000      0.2151000    
 H   -10.99120      -2.474600     -0.4824000    


%chk=000064004-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064004

0 1
Br 7.915553 -2.845126 -0.910129
Br 9.241355 1.584614 2.558630
S -1.736472 2.241477 -0.785793
S 1.362536 1.825264 -0.963185
O -2.678525 -0.521873 -2.206151
O 3.785593 1.808870 1.353601
N -6.089216 0.492901 -0.999077
N 3.332301 -0.026542 -0.047163
N 5.044460 -1.571646 -0.730647
N 1.005256 -0.386652 0.507484
N -0.276856 0.143744 0.323628
C -3.702399 0.372639 -1.658280
C -4.998670 -0.418116 -1.335385
C -3.105619 0.980882 -0.388778
C 5.619200 0.324966 0.760234
C 5.978671 -0.848328 0.019817
C -7.271828 0.088573 -0.346562
C 3.785322 -1.179245 -0.758837
C 4.219705 0.794343 0.748269
C 1.960073 0.334647 -0.070273
C 6.571139 1.054195 1.514612
C -7.457275 -1.227008 0.160496
C -8.324341 1.033179 -0.165227
C 7.344865 -1.262750 0.068073
C -0.283079 1.266120 -0.400327
C 2.774225 -1.950891 -1.563788
C -9.696845 -0.634392 1.030495
C -8.649295 -1.566668 0.839658
C -9.506642 0.672688 0.505295
C 7.897068 0.606370 1.529992
C 8.298979 -0.549389 0.812414
C -10.970889 -1.004358 1.771250
H -3.946019 1.177444 -2.391216
H -5.238667 -1.072937 -2.208219
H -4.794063 -1.087873 -0.479925
H -3.868571 1.531043 0.183043
H -2.637954 0.202416 0.235647
H -6.153555 1.350036 -1.551914
H 6.241635 1.941479 2.061811
H -6.687665 -1.993365 0.023868
H -8.204534 2.055328 -0.548140
H 2.018395 -2.418909 -0.909307
H 3.309964 -2.731227 -2.121445
H 2.231956 -1.296634 -2.270703
H -2.980738 -0.874730 -3.081221
H -8.764851 -2.588310 1.222679
H -10.298439 1.422594 0.628360
H 9.339141 -0.883082 0.836934
H -11.046227 -0.472104 2.739355
H -11.872706 -0.742899 1.186364
H -11.012153 -2.086659 1.984983


