%chk=000178501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178501

0 1
 Br  -1.885600      -3.156200     -0.3554000    
 S   -4.804700       1.562300     -2.3100000E-02
 O   0.3321000      -1.589100       1.166300    
 N   -2.219900      0.7851000      0.3313000    
 N   -3.596700     -0.8577000     -0.2500000    
 N    3.176400     -0.7298000     -0.2870000    
 N    3.869500       1.982100     -0.1100000    
 C  -2.4999999E-03 -0.3466000      0.5449000    
 C   -1.487500     -0.3422000      0.2584000    
 C   0.8602000     -0.1532000     -0.7226000    
 C    2.266000      0.2513000     -0.4464000    
 C   -2.322400      -1.342900     -9.4499998E-02
 C   -3.500500      0.4266000      1.4100000E-02
 C   -1.740300       2.105900      0.6761000    
 C    2.606500       1.583300     -0.3594000    
 C    4.439400     -0.3309000     -3.7900001E-02
 C    4.779900       1.001100      4.9199998E-02
 C    5.471400      -1.388300      0.1442000    
 C   -6.241200      0.5393000     -0.4984000    
 H   0.2403000      0.4288000       1.281000    
 H   0.4018000      0.5968000      -1.380800    
 H   0.8759000      -1.088200      -1.298700    
 H   -1.760800       2.200800       1.764500    
 H  -0.7240000       2.239100      0.2993000    
 H   -2.364500       2.873000      0.2144000    
 H  -0.1421000      -1.632200       2.014600    
 H    1.881900       2.379500     -0.4841000    
 H    5.792900       1.329700      0.2496000    
 H    6.258100      -1.287100     -0.6100000    
 H    5.919800      -1.315700       1.140100    
 H    5.033200      -2.386700      4.3200001E-02
 H   -6.072800      8.5000001E-02  -1.478400    
 H   -7.129900       1.173100     -0.5505000    
 H   -6.408800     -0.2443000      0.2453000    


%chk=000178501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178501

0 1
Br -1.548361 -2.935969 -0.458607
S -5.161987 1.440313 -0.134358
O 0.491320 -0.733938 1.626814
N -2.415255 1.016256 0.319911
N -3.534240 -0.844207 -0.346600
N 3.268497 -0.832854 -0.445452
N 4.174840 1.739080 0.373966
C 0.006451 0.181364 0.573087
C -1.448763 -0.028366 0.248222
C 0.940237 -0.046956 -0.643562
C 2.398252 0.218675 -0.324276
C -2.192272 -1.143210 -0.163002
C -3.638741 0.468218 -0.053548
C -2.168021 2.414601 0.698439
C 2.865854 1.498987 0.071890
C 4.588165 -0.610364 -0.148980
C 5.024514 0.677138 0.268874
C 5.542253 -1.775127 -0.280918
C -6.338595 0.043043 -0.594943
H 0.135533 1.228918 0.923422
H 0.599047 0.612675 -1.464817
H 0.847081 -1.092526 -0.978108
H -1.648637 2.472949 1.670083
H -1.568296 2.937847 -0.066662
H -3.135095 2.932701 0.797484
H -0.232102 -0.876724 2.289099
H 2.188240 2.357192 0.147758
H 6.074672 0.864988 0.517729
H 6.366622 -1.546338 -0.981248
H 6.000066 -2.028562 0.693342
H 4.994459 -2.655731 -0.650145
H -6.011598 -0.406396 -1.542006
H -7.326725 0.517160 -0.695198
H -6.336318 -0.713137 0.201609


