%chk=000072439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072439

0 1
 Br -0.2384000       4.980600       1.166400    
 Cl  -1.007100     -0.1442000     -0.9936000    
 O    7.359100     -0.3131000      -1.949600    
 O    4.339200       2.023000       1.341600    
 O    5.272500     -0.1041000      -2.817300    
 O    4.765700      -4.650300      0.7031000    
 O    6.097300      -3.450800       2.094400    
 N   -1.861700       2.594700     -5.8699999E-02
 N    4.209600      0.5369000     -0.4344000    
 N   -3.512900     -3.0900000E-02  0.7035000    
 N   -5.909100      0.7944000     -0.4080000    
 N   -6.558900      -1.411100     -0.6815000    
 N   -5.127800      -3.211500     -2.4000001E-03
 N   -3.024000      -2.732000      0.9599000    
 N   -7.220000      -3.645800     -0.9598000    
 C    5.591000      0.1272000     -0.4139000    
 C    5.841000      -1.065800      0.5167000    
 C  -0.4792000       2.316400      7.1000002E-02
 C   -2.773400       2.271800       1.017000    
 C    5.116100      -2.366000      0.1460000    
 C    2.242800       1.760900      0.3241000    
 C    3.692400       1.464800      0.4591000    
 C   0.3825000       3.277300      0.6001000    
 C   2.0199999E-02   1.077700     -0.3315000    
 C    1.743400       2.999600      0.7265000    
 C    1.381200      0.7999000     -0.2049000    
 C   -3.798300       1.272300      0.5573000    
 C    6.018600     -0.1151000      -1.846900    
 C   -2.373700       3.190800      -1.273000    
 C    5.385600      -3.508400       1.101300    
 C   -4.982800       1.679600      7.7999998E-03
 C   -4.440200     -0.9147000      0.2873000    
 C   -5.653500     -0.5128000     -0.2754000    
 C   -4.243600      -2.278200      0.3935000    
 C   -6.253500      -2.713000     -0.5259000    
 H    6.179100      0.9809000     -5.3500000E-02
 H    5.552500     -0.7854000       1.538500    
 H    6.919100      -1.269800      0.5541000    
 H   -2.240300       1.857800       1.883100    
 H   -3.269400       3.182000       1.377000    
 H    3.622100      0.1425000      -1.161500    
 H    5.431100      -2.688700     -0.8524000    
 H    4.034000      -2.194400      0.1352000    
 H    2.416300       3.750400       1.134800    
 H    1.739200     -0.1844000     -0.4946000    
 H   -3.220200       3.853700      -1.065400    
 H   -2.697200       2.419300      -1.979300    
 H   -1.610900       3.799200      -1.772500    
 H   -5.246200       2.722700     -0.1180000    
 H    7.637300     -0.4537000      -2.879700    
 H    4.952500      -5.398100       1.309900    
 H   -2.890400      -3.733600       1.022500    
 H   -2.206500      -2.140600      0.8723000    
 H   -7.035100      -4.634700     -0.8629000    
 H   -8.085900      -3.313900      -1.361500    


%chk=000072439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072439

0 1
Br -0.510223 4.364973 2.232083
Cl -1.063310 0.829135 -2.298737
O 7.411131 -0.465532 -1.543820
O 3.936640 1.255163 1.752407
O 5.440478 -0.045227 -2.698688
O 4.269450 -4.843409 0.175599
O 5.460097 -3.890551 1.927283
N -1.997859 3.057573 -0.284004
N 4.054516 0.429986 -0.411407
N -3.375965 0.372052 0.740097
N -5.870276 0.547744 -0.678342
N -6.045058 -1.825002 -0.646048
N -4.274449 -3.181508 0.437455
N -2.406603 -2.143655 1.431719
N -6.142605 -4.153588 -0.561195
C 5.441624 -0.015320 -0.227130
C 5.565763 -1.327483 0.605278
C -0.710361 2.532734 -0.073302
C -3.079542 2.818740 0.702458
C 4.843166 -2.519218 -0.045315
C 1.982559 1.530844 0.336062
C 3.383052 1.067534 0.620377
C 0.116717 2.948768 1.025551
C -0.093075 1.574240 -0.941450
C 1.407587 2.452273 1.246341
C 1.214657 1.094851 -0.771793
C -3.890978 1.574127 0.371971
C 6.057613 -0.163165 -1.613984
C -2.420506 3.566305 -1.601176
C 4.915604 -3.769244 0.809308
C -5.141708 1.630666 -0.330103
C -4.092222 -0.739729 0.397328
C -5.347901 -0.689692 -0.317277
C -3.590096 -2.063021 0.759028
C -5.471255 -2.998206 -0.250586
H 5.999764 0.764780 0.328122
H 5.146225 -1.121868 1.604252
H 6.637206 -1.554057 0.741492
H -2.639235 2.694671 1.704182
H -3.736537 3.709531 0.728856
H 3.704154 0.438161 -1.374217
H 5.263646 -2.769286 -1.039122
H 3.774959 -2.286452 -0.219290
H 2.011471 2.786160 2.094849
H 1.586870 0.338213 -1.469548
H -2.970584 4.516379 -1.449746
H -3.071654 2.865020 -2.158809
H -1.536753 3.779701 -2.222324
H -5.562744 2.604669 -0.610640
H 7.788079 -0.555341 -2.460845
H 4.333344 -5.651082 0.754733
H -2.032859 -3.052162 1.696043
H -1.918342 -1.274390 1.650507
H -5.748739 -5.048585 -0.284200
H -7.023734 -4.086924 -1.064387


