%chk=000063811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063811

0 1
 Br   3.460700      -3.249500      0.2064000    
 Br   6.201000       1.694900     -0.1055000    
 S   -1.715800       2.789300     -0.6259000    
 O   0.8752000       2.660800     -3.8500000E-02
 N  -0.2870000      0.6125000      2.6799999E-02
 N   0.9684000      -1.419900      7.5999998E-02
 N   -2.621200      0.8719000      0.8129000    
 N   -3.656500       1.784800      0.7121000    
 C  -0.1687000     -0.7945000      4.2800002E-02
 C    2.153100      0.7168000     -3.1700000E-02
 C    2.151800     -0.6755000      5.5100001E-02
 C   0.8593000       1.432000     -3.7500001E-02
 C   -1.377000      -1.647700     -6.1700001E-02
 C   -1.557500       1.277100      0.1613000    
 C    3.358600       1.427500     -7.9499997E-02
 C    3.376300      -1.353300      9.3199998E-02
 C    4.570900      0.7401000     -4.1099999E-02
 C   -2.002700      -2.098400       1.095000    
 C   -1.872100      -1.989400      -1.315000    
 C    4.580400     -0.6496000      4.6399999E-02
 C   -3.139100      -2.901400      0.9971000    
 C   -3.008400      -2.792400      -1.413000    
 C   -3.316600       2.830400     -1.0900000E-02
 C   -3.641800      -3.248500     -0.2570000    
 C   -4.191500       3.982100     -0.3077000    
 H    3.356800       2.513000     -0.1431000    
 H   -1.617500      -1.834100       2.076000    
 H   -1.385300      -1.638200      -2.220700    
 H    5.527500      -1.184100      7.6600000E-02
 H   -3.632300      -3.256500       1.897100    
 H   -3.400100      -3.062400      -2.389400    
 H   -4.526700      -3.873700     -0.3333000    
 H   -3.762300       4.911700      7.9499997E-02
 H   -4.346200       4.090600      -1.385900    
 H   -5.173300       3.848900      0.1581000    


%chk=000063811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063811

0 1
Br 3.339067 -3.245694 1.176330
Br 6.441768 1.479788 -0.042269
S -1.983584 2.596353 -1.308520
O 1.023109 2.647027 -0.724754
N -0.172234 0.682875 -0.195938
N 0.968818 -1.382364 0.277253
N -2.140600 1.313067 1.034621
N -3.298026 2.102284 0.965051
C -0.157033 -0.732680 0.030953
C 2.287298 0.662216 -0.135775
C 2.186857 -0.710035 0.264327
C 1.057409 1.431878 -0.397245
C -1.413824 -1.518541 -0.068138
C -1.371150 1.429208 -0.047134
C 3.537159 1.321680 -0.236637
C 3.399703 -1.390368 0.595125
C 4.697360 0.607208 0.084464
C -1.555070 -2.657034 0.767988
C -2.428034 -1.220771 -1.017194
C 4.643948 -0.746421 0.508223
C -2.703506 -3.467658 0.676996
C -3.567790 -2.044541 -1.116196
C -3.395927 2.820408 -0.155132
C -3.715959 -3.162860 -0.262996
C -4.513960 3.771850 -0.445834
H 3.557736 2.369331 -0.548254
H -0.755251 -2.889844 1.477163
H -2.315915 -0.375549 -1.704009
H 5.560796 -1.284202 0.761630
H -2.809323 -4.335763 1.336030
H -4.339051 -1.815662 -1.859408
H -4.608592 -3.793878 -0.334911
H -4.141882 4.806595 -0.553217
H -5.043548 3.506453 -1.378066
H -5.230368 3.740944 0.390474


