%chk=000050955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050955

0 1
 Br   1.776800       4.328000     -0.1484000    
 Cl  -3.838300       1.160700      -3.951300    
 Cl  -1.534600       2.633700       1.809900    
 O    1.261600      -3.145600     -0.3218000    
 O    1.786300       1.595300       1.156000    
 N   -3.209800      0.7431000      1.5300000E-02
 N    1.584500     -0.8627000      0.1139000    
 C   -2.597400     -0.5082000      0.2473000    
 C   -3.182200       1.338100      -1.305000    
 C   -3.884300       1.438800       1.091900    
 C   -3.343800      -1.593800      0.7055000    
 C   -1.229800     -0.6513000      1.3000000E-02
 C  -0.6086000      -1.880000      0.2367000    
 C   -2.722700      -2.822400      0.9295000    
 C   -1.355000      -2.965600      0.6950000    
 C   -3.856900      0.4343000      -2.324900    
 C   -3.247300       2.795700       1.348000    
 C   -4.810000      -1.468900      0.9652000    
 C   0.8173000      -2.029700     -7.3000002E-03
 C    2.977300     -0.6985000     -8.5800000E-02
 C    3.584800      0.5462000      7.9999998E-02
 C    3.743300      -1.805100     -0.4526000    
 C    4.958100      0.6846000     -0.1213000    
 C    5.116700      -1.666800     -0.6537000    
 C    2.813600       1.722200      0.4633000    
 C    5.724100     -0.4219000     -0.4883000    
 C    3.276600       3.099700     -1.0200000E-02
 H   -3.708000       2.300100      -1.310300    
 H   -2.149600       1.554000      -1.604800    
 H   -4.941100       1.578100      0.8353000    
 H   -3.854100      0.8723000       2.030300    
 H  -0.6801000      0.2015000     -0.3747000    
 H   -3.290100      -3.676400       1.290000    
 H  -0.8896000      -3.930000      0.8814000    
 H   -3.356300     -0.5348000      -2.407900    
 H   -4.903000      0.2529000      -2.058600    
 H   -3.292100       3.459700      0.4812000    
 H   -3.758800       3.297900       2.175000    
 H   -4.996300      -1.071200       1.966900    
 H   -5.311500     -0.8471000      0.2177000    
 H   -5.296800      -2.449900      0.9083000    
 H    1.109300     -2.0700000E-02  0.4199000    
 H    3.355200      -2.801600     -0.6015000    
 H    5.465200       1.635600      1.4600000E-02
 H    5.714800      -2.527600     -0.9384000    
 H    6.794000     -0.3156000     -0.6415000    
 H    3.980600       3.528200      0.7061000    
 H    3.708700       3.051600      -1.012300    


%chk=000050955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050955

0 1
Br 1.749806 4.485126 -1.367913
Cl -2.180713 2.255959 -3.522359
Cl -2.209227 1.502505 3.221639
O 1.367018 -3.204169 0.658174
O 1.215291 1.588316 -0.574090
N -3.378152 0.719304 0.137054
N 1.529752 -0.936932 0.045265
C -2.745980 -0.548731 0.382085
C -2.787362 1.648539 -0.854269
C -4.193528 1.348381 1.191743
C -3.532429 -1.715089 0.659445
C -1.335355 -0.666091 0.296584
C -0.678810 -1.905421 0.493449
C -2.854917 -2.941091 0.882375
C -1.455356 -3.049802 0.803433
C -2.867917 1.031507 -2.258686
C -3.463029 2.356949 2.097132
C -5.048435 -1.684314 0.666836
C 0.813847 -2.086882 0.413437
C 2.910904 -0.764316 -0.107647
C 3.403780 0.548448 -0.488612
C 3.840262 -1.826672 0.096189
C 4.812305 0.722521 -0.648775
C 5.216532 -1.605686 -0.071831
C 2.481911 1.690560 -0.704555
C 5.714904 -0.330781 -0.446608
C 3.104158 3.039533 -1.097601
H -3.388657 2.576095 -0.846762
H -1.740722 1.947301 -0.635754
H -5.032889 1.905396 0.719283
H -4.640065 0.565831 1.824669
H -0.770749 0.251361 0.107554
H -3.452375 -3.836224 1.093440
H -0.941315 -4.002408 0.962440
H -2.254119 0.125311 -2.359062
H -3.907164 0.833874 -2.558511
H -2.885851 3.102511 1.529574
H -4.171461 2.859392 2.775546
H -5.460392 -1.459393 1.670836
H -5.428794 -0.914311 -0.027777
H -5.456799 -2.664672 0.366577
H 1.005880 -0.061876 -0.146251
H 3.450240 -2.804610 0.383312
H 5.208088 1.701462 -0.936904
H 5.912221 -2.436437 0.090465
H 6.789688 -0.170709 -0.575935
H 3.784400 3.406071 -0.311811
H 3.652277 2.961264 -2.050221


