%chk=000079704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079704

0 1
 Br  -4.541600      -1.085900      -2.092700    
 S    3.805300      6.1200000E-02 -0.6311000    
 S   -2.153000      -1.886700      0.2117000    
 O    4.675900     -0.8511000      8.7300003E-02
 O    3.986800      0.2450000      -2.059300    
 N    3.812800       1.597800      0.1515000    
 N   0.2403000      -2.420600       2.106500    
 C    2.141800     -0.4924000     -0.3800000    
 C    1.841500      -1.230900      0.7496000    
 C    1.178600     -0.1738000      -1.319400    
 C   0.5310000      -1.666200      0.9469000    
 C  -0.4556000      -1.355200      1.1000000E-02
 C  -0.1318000     -0.6090000      -1.122000    
 C    2.872000       2.633700     -0.3455000    
 C    3.932900       1.620700       1.631600    
 C   -3.000300     -0.3156000      0.2499000    
 C   -3.984000      5.1800001E-02 -0.6740000    
 C   -2.642800      0.5751000       1.266300    
 C   -4.603800       1.298000     -0.5815000    
 C   -3.262700       1.821300       1.358500    
 C   -4.243000       2.182800      0.4347000    
 H    2.605200      -1.469300       1.484700    
 H    1.410000      0.4085000      -2.205700    
 H  -0.8789000     -0.3581000      -1.871000    
 H    2.819000       2.616200      -1.437600    
 H    3.235800       3.624900     -5.6499999E-02
 H    1.872600       2.488700      7.3899999E-02
 H    4.742000      0.9639000       1.962100    
 H    2.994400       1.314100       2.101300    
 H    4.181400       2.632600       1.967200    
 H  -0.7048000      -2.740700       2.271500    
 H   0.9707000      -2.631600       2.773300    
 H   -1.889100      0.3200000       2.007800    
 H   -5.370400       1.600000      -1.290900    
 H   -2.983300       2.509600       2.150900    
 H   -4.725600       3.153100      0.5070000    


%chk=000079704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079704

0 1
Br -5.455558 -1.935465 -0.532101
S 4.104581 -0.083275 -0.123091
S -2.174138 -1.623896 -0.924793
O 4.656598 -1.005663 1.097391
O 4.788325 -0.037161 -1.595601
N 4.206160 1.696705 0.525531
N -0.447969 -2.102764 1.595230
C 2.265339 -0.516088 -0.360600
C 1.617656 -1.140958 0.708416
C 1.660507 -0.198932 -1.590084
C 0.234218 -1.472752 0.573076
C -0.418977 -1.130473 -0.660137
C 0.290318 -0.522549 -1.717455
C 3.727968 2.660156 -0.491237
C 3.579640 1.805830 1.861432
C -3.084091 -0.243136 -0.084379
C -4.486181 -0.342122 0.086355
C -2.429941 0.926383 0.372015
C -5.226299 0.691570 0.697038
C -3.160491 1.964050 0.988422
C -4.559506 1.850938 1.152588
H 2.179415 -1.408006 1.610952
H 2.234573 0.236940 -2.411761
H -0.240340 -0.305235 -2.649739
H 4.162338 2.391840 -1.468617
H 4.116163 3.655523 -0.208371
H 2.619029 2.720599 -0.573131
H 3.929099 0.968379 2.487839
H 2.466022 1.825369 1.840268
H 3.940239 2.745581 2.317687
H -1.414515 -2.393003 1.446580
H 0.023881 -2.367252 2.455378
H -1.347555 1.019278 0.237246
H -6.309070 0.587980 0.813140
H -2.635106 2.860121 1.335211
H -5.133032 2.653391 1.627302


