%chk=000074803.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074803

0 1
 Br   4.578300      0.9146000      0.1528000    
 S   -1.526700      -1.055000     -0.2202000    
 O   -1.952900      -1.000900      -1.612700    
 O   -1.633300      -2.311200      0.5099000    
 N   -2.358900      0.1557000      0.6531000    
 C   0.1320000     -0.5191000     -0.1189000    
 C   -2.294800       1.554900      0.2073000    
 C   0.9374000     -0.9405000      0.9390000    
 C   0.6516000      0.3304000      -1.095800    
 C   -3.554200       2.288400      0.5371000    
 C    2.262600     -0.5125000       1.020000    
 C    1.976700      0.7583000      -1.014700    
 C    2.782200      0.3369000      4.3200001E-02
 H   -2.511800      1.0400000E-02   1.658800    
 H   -1.445500       2.039700      0.7001000    
 H   -2.133900       1.603300     -0.8741000    
 H   0.5521000      -1.595900       1.714900    
 H   4.2300001E-02  0.6730000      -1.927300    
 H   -4.419800       1.826000      5.0799999E-02
 H   -3.743300       2.286000       1.616000    
 H   -3.495000       3.330100      0.2063000    
 H    2.876500     -0.8488000       1.851600    
 H    2.366100       1.420400      -1.783800    


%chk=000074803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074803

0 1
Br 4.824417 0.800253 0.249736
S -1.525075 -1.014954 -0.275225
O -1.917089 -0.853155 -1.842524
O -1.688801 -2.385600 0.580856
N -2.561132 0.209233 0.606200
C 0.298503 -0.489605 -0.125328
C -2.573095 1.589528 0.068924
C 1.040332 -0.973673 0.965108
C 0.839221 0.337171 -1.123726
C -3.757788 2.348197 0.697273
C 2.395391 -0.587367 1.075500
C 2.194395 0.724065 -1.009572
C 2.948747 0.262752 0.091790
H -2.401934 0.102714 1.621259
H -1.622475 2.137627 0.256017
H -2.716474 1.508034 -1.022952
H 0.584974 -1.658332 1.688329
H 0.232179 0.643414 -1.981874
H -4.703520 1.825818 0.478255
H -3.651574 2.431739 1.794707
H -3.809964 3.371279 0.282833
H 3.006721 -0.949048 1.906640
H 2.651740 1.364109 -1.768827


