%chk=000149731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149731

0 1
 Br  -5.279800       4.311200      -1.330700    
 S    6.005800     -0.3169000      -1.139000    
 O    7.274200      0.1811000      -1.637800    
 O    5.903800     -0.8637000      0.1995000    
 N  -0.2293000      0.2206000       1.025700    
 N   -3.992700     -0.6947000     -0.5759000    
 N    2.053000      0.8517000       2.606900    
 N    4.805300      0.8891000      -1.404400    
 C   -1.505300     -8.9800000E-02  0.4826000    
 C   -1.901400      -1.425700      0.3624000    
 C   -2.354300      0.9433000      7.2899997E-02
 C   -3.171200      -1.686000     -0.1799000    
 C    1.030600      0.3904000      0.4364000    
 C    2.159300      0.7007000       1.206200    
 C   -3.606400      0.5904000     -0.4580000    
 C   -3.571200      -3.014000     -0.3021000    
 C   -1.068600      -2.484000      0.7660000    
 C    3.404400      0.8655000      0.5990000    
 C    1.168000      0.2473000     -0.9500000    
 C    3.531200      0.7210000     -0.7826000    
 C   -1.982100       2.294600      0.1821000    
 C    2.412900      0.4119000      -1.557100    
 C   -2.746100      -4.068100      9.7999997E-02
 C   -4.456100       1.614500     -0.8676000    
 C   -1.492200      -3.802800      0.6331000    
 C   -4.914200      -3.349800     -0.8731000    
 C   -2.850000       3.299500     -0.2346000    
 C   -4.089600       2.958300     -0.7604000    
 C    2.812500     -3.8999999E-03   3.494600    
 C    1.193800       1.872900       3.169400    
 C    5.455900      -1.564400      -2.281600    
 H  -0.2013000      7.4699998E-02   2.029900    
 H  -8.3700001E-02  -2.312500       1.192600    
 H    4.273800       1.125900       1.198600    
 H   0.3165000      6.3999998E-03  -1.581100    
 H   -1.022200       2.596500      0.5921000    
 H    2.500400      0.2956000      -2.634200    
 H   -3.069600      -5.100800     -2.2000000E-03
 H   -5.430100       1.354900      -1.281100    
 H  -0.8474000      -4.618200      0.9465000    
 H   -5.709000      -2.910300     -0.2612000    
 H   -4.997400      -2.973100      -1.898100    
 H   -5.087800      -4.430800     -0.9071000    
 H   -2.545000       4.338200     -0.1415000    
 H    4.755300       1.250700      -2.366300    
 H    2.423400      4.4000000E-02   4.517500    
 H    2.758100      -1.049600       3.172100    
 H    3.863700      0.3007000       3.522300    
 H   0.8546000       2.594400       2.417800    
 H   0.3168000       1.425300       3.647800    
 H    1.737000       2.439400       3.934000    
 H    5.409200      -1.133900      -3.283600    
 H    6.183300      -2.379100      -2.264100    
 H    4.480300      -1.938100      -1.966900    


%chk=000149731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149731

0 1
Br -4.760353 4.183572 -2.400584
S 6.174489 0.147782 -1.156700
O 7.579941 0.714817 -1.750061
O 6.092852 -0.559577 0.312157
N -0.138339 -0.104104 0.918622
N -4.071070 -0.779868 -0.671990
N 1.952876 0.166610 2.611951
N 4.811669 1.749580 -1.071657
C -1.414418 -0.300477 0.356108
C -2.024548 -1.594842 0.482846
C -2.151583 0.760642 -0.264369
C -3.378162 -1.774902 -0.032130
C 1.014901 0.463662 0.359021
C 2.149093 0.574763 1.244734
C -3.475253 0.446602 -0.789981
C -4.037399 -3.061542 0.110897
C -1.348924 -2.718036 1.072414
C 3.385189 0.998197 0.733823
C 1.157094 0.810480 -1.012705
C 3.537822 1.321682 -0.648937
C -1.694617 2.121830 -0.335950
C 2.405527 1.209546 -1.514518
C -3.343743 -4.106263 0.725163
C -4.235658 1.482712 -1.442743
C -1.999209 -3.942994 1.194197
C -5.445853 -3.234151 -0.410438
C -2.456559 3.113547 -0.947768
C -3.725636 2.769000 -1.517629
C 3.142947 -0.375889 3.308431
C 1.198159 1.135056 3.458288
C 5.509646 -1.175867 -2.404336
H 0.092713 -0.609289 1.789916
H -0.307868 -2.626446 1.400978
H 4.261362 1.092081 1.379887
H 0.303113 0.713952 -1.688755
H -0.731494 2.395484 0.102857
H 2.511630 1.441386 -2.581930
H -3.833348 -5.080502 0.837468
H -5.213594 1.208499 -1.845366
H -1.478048 -4.797651 1.638996
H -6.131948 -2.506108 0.057792
H -5.490400 -3.033821 -1.495934
H -5.817521 -4.254911 -0.217438
H -2.099319 4.146047 -0.990138
H 4.824386 2.076378 -2.060862
H 2.810062 -0.914183 4.213528
H 3.675409 -1.080700 2.649899
H 3.860203 0.414252 3.624270
H 0.299788 1.490748 2.927598
H 0.879440 0.637186 4.391203
H 1.819641 2.018133 3.725014
H 5.606936 -0.739464 -3.407840
H 6.158774 -2.051413 -2.264159
H 4.468302 -1.380726 -2.119342


