%chk=000178820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178820

0 1
 Br   5.932200       1.688600     -0.8926000    
 S   -4.833900     -0.4192000      0.1504000    
 O   -3.132400      -2.513000     -0.3510000    
 O   -1.960300       3.035700       1.473900    
 O    5.662700     -0.6290000       1.161100    
 O   -2.291600       3.220400     -0.7913000    
 N   -1.957200      -1.886500      0.2429000    
 N   0.7906000      0.2216000      -1.217500    
 N   -2.118300       1.159800      0.2589000    
 C   -1.439300     -0.9835000     -0.8187000    
 C   2.1400001E-02 -0.7071000     -0.5741000    
 C   -2.279800      0.3183000     -0.9092000    
 C   0.8299000      -1.402200      0.3014000    
 C   0.2863000      -2.512400       1.129600    
 C   -1.047700      -3.012600      0.5349000    
 C    2.135800     -0.8493000      0.2186000    
 C   -3.768800      0.1064000      -1.241500    
 C    2.083300      0.1686000     -0.7398000    
 C   -4.274500      -2.127600      0.4040000    
 C    3.362700      -1.114100      0.8592000    
 C    3.201700      0.9355000      -1.086000    
 C    4.487900     -0.3531000      0.5228000    
 C    4.406300      0.6557000     -0.4348000    
 C   -2.138500       2.535600      0.2147000    
 C   -1.958600       4.463500       1.584100    
 H   -1.499100      -1.499600      -1.788900    
 H   -1.876200      0.8888000      -1.758100    
 H   0.9999000      -3.342200       1.178300    
 H   0.1238000      -2.149600       2.151900    
 H  -0.8529000      -3.593900     -0.3770000    
 H   -1.518400      -3.689700       1.257700    
 H   0.4658000      0.8606000      -1.930000    
 H   -4.188000       1.062700      -1.576400    
 H   -3.891000     -0.5899000      -2.078400    
 H   -2.031700      0.7126000       1.166700    
 H   -5.094500      -2.785300      0.1000000    
 H   -4.108100      -2.305600       1.473100    
 H    3.434100      -1.899500       1.606800    
 H    3.123600       1.717100      -1.835500    
 H    6.343200     -2.2000000E-02  0.8224000    
 H   -2.920100       4.869400       1.255600    
 H   -1.138000       4.887100      0.9973000    
 H   -1.808800       4.722800       2.635500    


%chk=000178820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178820

0 1
Br 5.661141 2.280497 -0.473537
S -4.940550 -0.549844 0.432045
O -3.250618 -2.661983 -0.328702
O -1.832838 3.119773 1.269207
O 5.578277 -0.405710 1.212766
O -1.065499 2.759878 -0.925178
N -2.000991 -1.993300 0.253694
N 0.542221 0.438732 -1.073270
N -2.349129 1.165657 0.224084
C -1.573529 -1.019770 -0.818807
C -0.124066 -0.675905 -0.540678
C -2.495733 0.241241 -0.904555
C 0.750922 -1.425765 0.245075
C 0.297674 -2.660354 0.976948
C -1.036111 -3.143895 0.368187
C 2.028865 -0.749561 0.223542
C -3.996897 -0.075675 -1.136651
C 1.861643 0.422175 -0.600716
C -4.374382 -2.390023 0.522840
C 3.287198 -1.010776 0.818344
C 2.911512 1.335246 -0.823871
C 4.349988 -0.112045 0.603238
C 4.141874 1.046070 -0.210736
C -1.704059 2.366260 0.102892
C -1.094010 4.402034 1.275079
H -1.658744 -1.529290 -1.810041
H -2.152316 0.793671 -1.802283
H 1.036597 -3.481296 0.900157
H 0.163150 -2.447652 2.055775
H -0.858103 -3.598661 -0.631350
H -1.516716 -3.897335 1.013497
H 0.070673 1.282907 -1.433427
H -4.516099 0.828704 -1.495063
H -4.120106 -0.886674 -1.871302
H -2.841884 0.931007 1.092187
H -5.186417 -3.026394 0.137901
H -4.154960 -2.582218 1.585764
H 3.470262 -1.885934 1.448348
H 2.784372 2.225895 -1.444589
H 6.245395 0.296277 0.989975
H -1.418176 5.038054 0.434883
H -0.008892 4.218733 1.198570
H -1.347438 4.861146 2.240757


