%chk=000178465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178465

0 1
 Br  -1.479500      -1.296000       2.906200    
 S   -3.214800       1.854600      -1.331400    
 O   0.3325000      -2.098900      -1.563900    
 N   -1.449900     -0.1828000     -0.9509000    
 N   -2.528300      0.4473000      0.8855000    
 N    1.690300      0.6171000      0.9634000    
 N    3.602600      0.6873000      -1.087100    
 C   3.1399999E-02  -2.034400     -0.1633000    
 C   -1.025400     -0.9460000      5.9300002E-02
 C    1.342600      -1.758800      0.6156000    
 C  -0.5209000      -3.421300      0.2080000    
 C    2.038400     -0.4629000      0.2575000    
 C   -1.664800     -0.5796000       1.174300    
 C   -2.374100      0.6622000     -0.4021000    
 C   -1.024500     -0.2369000      -2.332600    
 C    2.966100     -0.4499000     -0.7437000    
 C    2.326900       1.754400      0.6201000    
 C    3.266100       1.789000     -0.3870000    
 C    1.979300       2.991200       1.372400    
 C   -4.294100       2.664400     -0.1005000    
 H    2.050900      -2.579200      0.4318000    
 H    1.169400      -1.765500       1.697300    
 H  -0.6850000      -3.546600       1.280200    
 H   -1.469100      -3.614100     -0.3083000    
 H   0.1694000      -4.211000     -0.1124000    
 H    1.021700      -2.772200      -1.695200    
 H   4.7100000E-02 -3.1500001E-02  -2.396500    
 H   -1.334800      -1.187500      -2.774100    
 H   -1.513400      0.5459000      -2.915900    
 H    3.240800      -1.330600      -1.310700    
 H    3.782000       2.699300     -0.6691000    
 H    2.863200       3.389800       1.880100    
 H    1.583800       3.752300      0.6924000    
 H    1.216500       2.787700       2.131200    
 H   -4.876500       3.446100     -0.5948000    
 H   -3.690200       3.119300      0.6892000    
 H   -4.980800       1.934900      0.3369000    


%chk=000178465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178465

0 1
Br -1.914133 -1.642377 2.876036
S -2.956674 2.152323 -1.194694
O 0.381474 -2.287840 -1.561960
N -1.276896 -0.096695 -0.903303
N -2.598375 0.318480 0.900619
N 1.550769 0.608269 0.805267
N 3.551759 0.657854 -1.219291
C 0.062942 -2.205056 -0.112054
C -0.989832 -1.117112 0.045953
C 1.372169 -1.842968 0.683843
C -0.459338 -3.588998 0.337140
C 2.007115 -0.549344 0.231972
C -1.821585 -0.802539 1.130590
C -2.249032 0.721033 -0.335267
C -0.691126 0.128626 -2.238999
C 3.013981 -0.512262 -0.769645
C 2.077226 1.794996 0.362578
C 3.071779 1.804288 -0.652685
C 1.549310 3.061510 0.990466
C -4.062951 2.763265 0.201409
H 2.084204 -2.682695 0.563702
H 1.107621 -1.760426 1.752835
H -0.716942 -3.610836 1.407196
H -1.358610 -3.856521 -0.242866
H 0.321664 -4.355690 0.161756
H 0.867847 -3.137564 -1.715352
H 0.404885 0.069384 -2.193888
H -1.047502 -0.625966 -2.956380
H -0.988425 1.134954 -2.578327
H 3.399522 -1.431986 -1.220846
H 3.497996 2.744919 -1.017280
H 1.683224 3.031891 2.086355
H 2.056440 3.955954 0.592141
H 0.463962 3.154071 0.803445
H -4.567319 3.657108 -0.196615
H -3.446833 3.007245 1.077487
H -4.785418 1.977804 0.460562


