%chk=000088027.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088027

0 1
 Br  -2.867400       2.485400      3.5599999E-02
 S    2.433800      -1.160700      1.2100000E-02
 S   -2.961000     -0.8584000      9.5700003E-02
 O    2.387600      -1.905200      -1.233300    
 O    2.428900      -1.860500       1.284000    
 O   -2.745900      -2.171000      0.6832000    
 O   -3.954400      3.9600000E-02  0.6621000    
 N    2.348900       1.853300     -3.8400002E-02
 N    3.707800     -0.1416000     -2.6400000E-02
 N   -3.268600      -1.040500      -1.573800    
 C   0.9761000     -0.1584000      1.8600000E-02
 C    1.096800       1.232800     -7.4999998E-03
 C   -1.422200     -2.0099999E-02  5.5300001E-02
 C  -0.2653000     -0.7946000      4.9699999E-02
 C  -7.7900000E-02   1.993500     -1.3000000E-03
 C   -1.329500       1.371500      2.9500000E-02
 C    3.512300       1.134800     -4.5100000E-02
 H  -0.3122000      -1.879600      6.0199998E-02
 H  -7.7999998E-03   3.079700     -2.1100000E-02
 H    2.369200       2.866800     -5.6699999E-02
 H    4.392700       1.797000     -7.1000002E-02
 H   -3.195100      -1.984400      -1.972600    
 H   -4.019300     -0.4727000      -1.985600    


%chk=000088027-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088027

0 1
Br -2.871090 2.507965 -0.315495
S 2.571386 -1.271307 0.185907
S -3.009828 -1.005513 0.033692
O 2.668243 -2.167079 -1.157225
O 2.586882 -1.981467 1.637921
O -2.551330 -2.563592 0.124316
O -4.027588 -0.337913 1.103386
N 2.389414 1.883930 -0.052614
N 4.005100 0.022172 0.140933
N -3.672658 -0.740251 -1.645013
C 1.029691 -0.179825 0.063098
C 1.143732 1.228981 -0.044485
C -1.377661 -0.027333 -0.026418
C -0.221019 -0.814651 0.073717
C -0.043952 2.001439 -0.149087
C -1.301957 1.375869 -0.142494
C 3.643608 1.285621 0.035142
H -0.320291 -1.904328 0.161747
H 0.018488 3.091077 -0.239232
H 2.374883 2.902931 -0.127413
H 4.479984 2.000887 0.011509
H -3.706942 -1.648474 -2.135344
H -4.579594 -0.252438 -1.583346


