%chk=000043434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043434

1 1
 Br  -4.669900      -4.017300     -0.1696000    
 Cl   4.978800       2.595600     -0.3101000    
 O   -4.767500      -1.198200     -0.7903000    
 O    2.572900      0.8738000     -3.0700000E-02
 N   -3.962000       1.949300     -0.3644000    
 C   -2.724000       1.139200     -0.2844000    
 C   -5.066200       1.189200      -1.113900    
 C   -1.611800       1.921500      0.4032000    
 C   -3.705500       3.268800      -1.106900    
 C   -4.486600       2.287600       1.038800    
 C  -0.3021000       1.137100      0.5288000    
 C   -5.457600     -8.4700003E-02 -0.4290000    
 C   0.7995000       1.997800       1.156400    
 C    2.124000       1.251500       1.262900    
 C   -6.400500     -0.3889000      0.5251000    
 C   -6.282100      -1.778600      0.7653000    
 C    3.757000      0.1863000     -9.8700002E-02
 C    3.743000      -1.207100     -3.5700001E-02
 C    2.458000      -1.954700      0.1064000    
 C   -5.275200      -2.224600     -5.8899999E-02
 C    4.967900      0.8662000     -0.2309000    
 C    4.939600      -1.920600     -0.1048000    
 C    2.391500      -2.764000       1.414500    
 C    2.179200      -2.876500      -1.094900    
 C    6.164500      0.1526000     -0.2998000    
 C    6.150300      -1.240800     -0.2369000    
 C    7.484800      0.8395000     -0.4415000    
 H   -2.428300      0.8590000      -1.302600    
 H   -2.925100      0.2259000      0.2857000    
 H   -5.934700       1.854000      -1.195100    
 H   -4.692000      0.9873000      -2.124700    
 H   -1.906100       2.224800       1.413200    
 H   -1.375600       2.832600     -0.1556000    
 H   -3.203700       3.041300      -2.051800    
 H   -4.672600       3.744800      -1.298800    
 H   -3.105300       3.937700     -0.4853000    
 H   -4.453800       1.392100       1.665100    
 H   -3.863700       3.072200       1.477400    
 H   -5.509400       2.666400      0.9457000    
 H  -0.4663000      0.2416000       1.140000    
 H   8.1000002E-03  0.7979000     -0.4667000    
 H   0.9452000       2.892100      0.5381000    
 H   0.4896000       2.330900       2.153600    
 H    2.000000      0.3666000       1.897600    
 H    2.863900       1.905300       1.739000    
 H   -7.089100      0.3018000      0.9903000    
 H   -6.863600      -2.373000       1.456100    
 H    1.610800      -1.262000      0.1375000    
 H    4.954300      -3.006000     -5.7700001E-02
 H    2.570000      -2.119800       2.282300    
 H    1.402600      -3.220100       1.533000    
 H    3.132900      -3.569900       1.437100    
 H    1.189900      -3.338000      -1.003100    
 H    2.199600      -2.310000      -2.032600    
 H    2.915500      -3.683500      -1.173900    
 H    7.072500      -1.813600     -0.2891000    
 H    7.519300       1.420100      -1.369300    
 H    7.668400       1.501100      0.4115000    
 H    8.314700      0.1250000     -0.4784000    


%chk=000043434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043434

1 1
Br -5.328768 -3.474188 1.336543
Cl 4.191875 2.662861 0.055693
O -5.046638 -1.021345 -0.030360
O 2.313007 0.314428 0.284890
N -3.933353 2.069257 -0.576514
C -2.752650 1.180168 -0.094631
C -5.032348 1.138384 -1.236477
C -1.603390 1.916191 0.610275
C -3.466570 3.041558 -1.653821
C -4.546801 2.842983 0.581415
C -0.452397 0.916905 0.898643
C -5.715134 0.204892 -0.314192
C 0.741382 1.601836 1.601204
C 1.971073 0.692149 1.682193
C -6.964530 0.189896 0.294631
C -7.102134 -1.066199 0.991865
C 3.655687 -0.082168 0.066741
C 3.974243 -1.460775 -0.065686
C 2.898887 -2.539966 0.077544
C -5.925620 -1.766869 0.772707
C 4.667498 0.898006 -0.092805
C 5.320209 -1.794409 -0.357596
C 3.227557 -3.526546 1.229408
C 2.693065 -3.299536 -1.260899
C 6.013056 0.576745 -0.379690
C 6.312369 -0.805718 -0.505771
C 7.082733 1.634559 -0.554961
H -2.381937 0.664690 -0.999423
H -3.196243 0.419681 0.568876
H -5.766673 1.825779 -1.687646
H -4.500825 0.598928 -2.039686
H -1.943220 2.361571 1.564543
H -1.197219 2.731990 -0.017393
H -3.025529 2.472202 -2.486535
H -4.330007 3.622714 -2.013529
H -2.715448 3.724955 -1.234511
H -4.841837 2.137372 1.371179
H -3.809694 3.559615 0.970212
H -5.433796 3.385661 0.217900
H -0.825512 0.079613 1.523054
H -0.087893 0.480513 -0.050485
H 1.031642 2.512044 1.042401
H 0.460920 1.912902 2.627440
H 1.766553 -0.233065 2.260690
H 2.820806 1.226446 2.145488
H -7.719302 0.973474 0.240562
H -7.957075 -1.411173 1.567250
H 1.948872 -2.028017 0.320872
H 5.597840 -2.848534 -0.468005
H 3.362627 -2.996792 2.190078
H 2.412072 -4.263479 1.351468
H 4.156742 -4.089400 1.024251
H 1.881020 -4.043848 -1.162581
H 2.432364 -2.604210 -2.078933
H 3.609929 -3.841096 -1.558253
H 7.344383 -1.097787 -0.728928
H 6.838421 2.319412 -1.387450
H 7.184103 2.259860 0.350706
H 8.059609 1.169481 -0.765460


