%chk=000173485.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173485

0 1
 Br   3.087000      -3.240700      0.1792000    
 Cl  -3.484000       3.882100      -1.202800    
 F   -2.560400      -2.388900       1.978100    
 O    2.527600     -0.1824000       2.382300    
 O    4.960000     -0.6999000      -1.182000    
 N    1.476800       1.261400      0.8851000    
 N  -0.5958000     -0.6942000       1.934700    
 N    2.705600     -0.1634000      -1.357900    
 C   0.2709000       1.838200      0.3557000    
 C    2.750100       1.657600      0.2838000    
 C  -0.9768000       1.181600      0.3897000    
 C   -1.130400     -0.2284000      0.8568000    
 C    1.511200      0.3900000       1.980000    
 C    2.842700       1.256700      -1.178900    
 C   0.2144000      0.2062000       2.727500    
 C   0.3198000       3.113600     -0.2414000    
 C   -2.134200       1.824000     -8.6800002E-02
 C   -1.933500      -1.177700      3.2800000E-02
 C  -0.8309000       3.737000     -0.7307000    
 C   -2.059500       3.097500     -0.6422000    
 C   -2.614100      -2.220800      0.6491000    
 C   -1.992200      -1.006800      -1.345000    
 C    3.787600      -1.033600      -1.344400    
 C   -3.364800      -3.106300     -0.1244000    
 C   -2.742800      -1.892400      -2.118300    
 C   -3.429000      -2.942100      -1.508000    
 C    3.394700      -2.468200      -1.571900    
 H    2.909700       2.731800      0.4221000    
 H    3.576900       1.182200      0.8251000    
 H    2.074000       1.729700      -1.796000    
 H    3.813600       1.571800      -1.577700    
 H   0.4321000     -0.2647000       3.692500    
 H  -0.2717000       1.161600       2.953400    
 H    1.240000       3.685900     -0.3089000    
 H   -3.103300       1.333000     -2.0099999E-02
 H  -0.7501000       4.731300      -1.162900    
 H    1.768700     -0.5363000      -1.481800    
 H   -1.442400     -0.2234000      -1.858400    
 H   -3.898800      -3.923800      0.3509000    
 H   -2.786300      -1.769800      -3.196600    
 H   -4.011900      -3.632800      -2.110400    
 H    4.205600      -3.019500      -2.052300    
 H    2.475100      -2.564700      -2.152900    


%chk=000173485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173485

0 1
Br 1.735576 -3.373031 -1.391605
Cl -3.578651 3.976851 -1.216743
F -3.023492 -2.077203 2.046379
O 2.690635 0.213936 2.581601
O 4.828089 -0.603063 -2.112300
N 1.474246 1.364049 0.940823
N -0.534724 -0.654045 1.987356
N 2.655373 -0.332798 -1.297314
C 0.246752 1.957801 0.487680
C 2.739874 1.664945 0.212601
C -0.980384 1.218193 0.407867
C -1.097561 -0.195241 0.889150
C 1.580902 0.610886 2.139260
C 2.725525 1.131955 -1.236127
C 0.244872 0.292294 2.819742
C 0.265941 3.306389 0.034724
C -2.137500 1.852838 -0.124479
C -1.912807 -1.152349 0.077073
C -0.885001 3.928232 -0.480211
C -2.081149 3.184949 -0.553264
C -2.792912 -2.096678 0.662751
C -1.792338 -1.185933 -1.339738
C 3.720333 -1.088377 -1.719895
C -3.504313 -3.047036 -0.088887
C -2.489034 -2.132495 -2.118645
C -3.342952 -3.069830 -1.491493
C 3.599154 -2.613266 -1.699340
H 2.940681 2.751866 0.203540
H 3.545670 1.181366 0.788708
H 1.882569 1.570744 -1.802908
H 3.666484 1.428062 -1.732678
H 0.473099 -0.191104 3.779835
H -0.307394 1.239788 3.002331
H 1.189881 3.887417 0.100492
H -3.072252 1.289108 -0.191347
H -0.854543 4.970029 -0.811400
H 1.809733 -0.814656 -0.977784
H -1.128398 -0.464898 -1.829343
H -4.171270 -3.744700 0.425789
H -2.362447 -2.143579 -3.205674
H -3.885962 -3.810314 -2.087580
H 4.218341 -3.023180 -0.886403
H 3.932557 -3.015522 -2.666444


