%chk=000063182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063182

0 1
 Br   3.088000      -3.414300      0.8787000    
 Br   6.438400      0.8809000     -0.6663000    
 Cl -0.8788000       2.171100       2.576600    
 S   -2.045000      -1.818300      -1.145000    
 O    1.300500       2.601200     -0.6309000    
 N  -0.1114000      0.8084000     -4.6900000E-02
 N   0.8607000      -1.309900      0.4316000    
 C   -3.626600      -2.560000     -0.6710000    
 C  -0.1783000     -0.5448000      0.2940000    
 C   -1.522900      -1.221000      0.4682000    
 C   -3.441900      -3.719200      0.3194000    
 C    2.312200      0.5476000     -0.2134000    
 C    1.126000       1.420300     -0.3394000    
 C    2.130100     -0.7749000      0.1910000    
 C   -1.277400       1.648000     -7.2999999E-02
 C   -4.516400      -1.472500     -7.3500000E-02
 C   -2.567800      -4.849900     -0.2097000    
 C    3.595000       1.046100     -0.4700000    
 C    3.251700      -1.599400      0.3366000    
 C   -1.710400       2.313100       1.069000    
 C   -1.967400       1.779600      -1.273400    
 C    4.703700      0.2141000     -0.3217000    
 C    4.532800      -1.107700      8.2500003E-02
 C   -2.847000       3.119700       1.009800    
 C   -3.104100       2.586100      -1.332300    
 C   -3.543800       3.256000     -0.1908000    
 H   -4.094400      -2.935900      -1.587800    
 H   -2.235300     -0.5218000      0.9028000    
 H   -1.384100      -2.053900       1.163100    
 H   -3.064000      -3.382300       1.290400    
 H   -4.434300      -4.141000      0.5286000    
 H   -5.544600      -1.848400     -2.4000001E-03
 H   -4.553400     -0.5744000     -0.7000000    
 H   -4.232600      -1.188300      0.9440000    
 H   -1.517700      -4.554500     -0.2888000    
 H   -2.613600      -5.704800      0.4732000    
 H   -2.911900      -5.187700      -1.192500    
 H    3.733500       2.078500     -0.7820000    
 H   -1.630000       1.270900      -2.172400    
 H    5.399500      -1.755200      0.1979000    
 H   -3.203200       3.648400       1.890200    
 H   -3.645700       2.693600      -2.267500    
 H   -4.428700       3.883900     -0.2369000    


%chk=000063182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063182

0 1
Br 3.571258 -3.372661 0.694817
Br 6.602907 1.378678 -0.594702
Cl -0.892143 1.824459 2.673121
S -1.974231 -1.980442 -1.184094
O 1.164519 2.666951 -0.561813
N 0.005339 0.687794 -0.040008
N 1.148981 -1.390630 0.372731
C -3.763045 -2.469995 -0.673286
C 0.029784 -0.689013 0.277100
C -1.271445 -1.410780 0.500093
C -3.781318 -3.590039 0.391452
C 2.451363 0.639778 -0.181299
C 1.210994 1.437636 -0.286442
C 2.370369 -0.752241 0.151232
C -1.234510 1.441704 -0.080983
C -4.592785 -1.239268 -0.266386
C -3.097447 -4.901414 -0.043316
C 3.693558 1.282890 -0.404029
C 3.598142 -1.477748 0.250055
C -1.753231 2.047500 1.086127
C -1.907557 1.625126 -1.308241
C 4.866650 0.527635 -0.295105
C 4.836037 -0.853144 0.030433
C -2.927981 2.821831 1.048996
C -3.083338 2.402870 -1.362898
C -3.592249 2.998986 -0.186340
H -4.138872 -2.873489 -1.634596
H -2.024329 -0.770498 0.984092
H -1.060034 -2.301704 1.107091
H -3.322121 -3.213367 1.327318
H -4.845619 -3.789723 0.636704
H -5.644801 -1.535845 -0.088086
H -4.575771 -0.464257 -1.050967
H -4.216798 -0.786176 0.669768
H -2.035963 -4.727916 -0.293897
H -3.147467 -5.656929 0.761472
H -3.587610 -5.326916 -0.939294
H 3.696837 2.347722 -0.651791
H -1.496030 1.157442 -2.206718
H 5.763449 -1.425399 0.109652
H -3.307603 3.282778 1.965187
H -3.594843 2.547410 -2.319560
H -4.501649 3.607804 -0.223590


