%chk=000100592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100592

0 1
 Br   8.608600       1.025000     -7.7000000E-03
 Br  -8.685700     -0.5161000     -6.0000003E-04
 S  -0.4959000       1.986300      2.7000001E-03
 N   0.6226000     -0.4159000      2.0999999E-03
 N    1.750000      0.3154000      3.0000001E-04
 N   -1.750500     -0.2739000     -5.0000002E-04
 N  -0.1740000      -2.654600      7.3000002E-03
 C    2.715800     -0.6100000      1.6000000E-03
 C   0.8390000      -1.762600      4.6999999E-03
 C    2.203200      -1.923500      4.0000002E-03
 C    4.099500     -0.2264000     -1.0000000E-03
 C  -0.5661000      0.2780000     -3.9999999E-04
 C   -2.698700      0.7303000      1.2000001E-03
 C   -4.103300      0.4382000      5.0000002E-04
 C   -2.210500       2.020200      2.2000000E-03
 C    5.051900      -1.047400      0.6026000    
 C    4.491000      0.9676000     -0.6067000    
 C   -5.000500       1.319800      0.6046000    
 C   -4.573900     -0.7282000     -0.6039000    
 C    6.396000     -0.6743000      0.6007000    
 C    5.835200       1.340500     -0.6087000    
 C    6.787600      0.5196000     -4.9999999E-03
 C   -6.366100       1.035400      0.6043000    
 C   -5.939600      -1.012600     -0.6043000    
 C   -6.835600     -0.1308000     -9.9999997E-05
 H    2.737700      -2.863300     -1.9999999E-04
 H   -2.736700       2.964600     -9.3000000E-03
 H    4.776900      -1.978500       1.091800    
 H    3.773200       1.624300      -1.092300    
 H   -4.672000       2.229100       1.101200    
 H   -3.895400      -1.428800      -1.085000    
 H  -3.4000000E-03  -3.655500      8.8999998E-03
 H   -1.151300      -2.380000      6.5000001E-03
 H    7.125500      -1.324000       1.077400    
 H    6.124200       2.273100      -1.086600    
 H   -7.051100       1.730900       1.082700    
 H   -6.289200      -1.925000      -1.080600    


%chk=000100592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100592

0 1
Br 8.889370 0.804545 -0.120764
Br -8.786290 -0.925299 -0.009918
S -0.519610 2.288287 -0.120962
N 0.621899 -0.246508 0.008771
N 1.861013 0.429872 -0.057388
N -1.770591 -0.077593 -0.004017
N -0.320335 -2.464762 0.216650
C 2.781304 -0.579573 0.025120
C 0.775980 -1.643908 0.131982
C 2.160724 -1.873486 0.142254
C 4.219816 -0.262226 -0.010296
C -0.561251 0.470557 -0.035647
C -2.788406 0.903523 -0.040897
C -4.204608 0.481860 -0.022243
C -2.317657 2.208976 -0.107472
C 5.200514 -1.286523 0.059438
C 4.653397 1.088393 -0.114606
C -5.247936 1.400771 0.272040
C -4.552270 -0.866233 -0.304596
C 6.577540 -0.979929 0.027632
C 6.024383 1.410493 -0.147595
C 6.974206 0.368600 -0.075616
C -6.597703 0.994787 0.273834
C -5.897838 -1.289328 -0.304186
C -6.909604 -0.350626 -0.015815
H 2.647941 -2.841161 0.225527
H -2.885590 3.132863 -0.185389
H 4.897941 -2.335798 0.138930
H 3.901548 1.881448 -0.168954
H -5.012511 2.440577 0.522757
H -3.758246 -1.581157 -0.538580
H -0.198727 -3.465787 0.329044
H -1.249629 -2.025880 0.193199
H 7.324444 -1.776716 0.082043
H 6.347705 2.452181 -0.227713
H -7.390869 1.710934 0.506032
H -6.151655 -2.329277 -0.528200


