%chk=000071272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071272

0 1
 Br -0.2360000       4.774900      0.3336000    
 Cl  -1.816500      -1.775200      -2.002600    
 O    3.858200     -0.5691000      0.9026000    
 N    1.684600     -0.8839000     -0.9653000    
 N  -0.2026000      -1.557300       1.189400    
 C    1.993400      -1.838300      0.1164000    
 C    1.238300      -1.565400       1.422000    
 C    1.238400      0.4021000     -0.6784000    
 C    3.500100      -1.840000      0.3981000    
 C   9.0200000E-02  0.6267000      0.1101000    
 C  -0.7169000     -0.5276000      0.6021000    
 C    2.197200      -1.166200      -2.301100    
 C    1.900400       1.538800      -1.178700    
 C  -0.3445000       1.924400      0.4203000    
 C   -2.192500     -0.5165000      0.3889000    
 C    1.463600       2.832900     -0.8801000    
 C   0.3462000       3.025000     -7.5700000E-02
 C   -2.771900      -1.058000     -0.7554000    
 C   -2.988700      5.5700000E-02   1.377700    
 C    5.250200     -0.4872000       1.191600    
 C   -4.157700      -1.027300     -0.9121000    
 C   -4.374500      8.6499996E-02   1.220700    
 C   -4.958900     -0.4549000      7.5900003E-02
 H    1.709400      -2.838600     -0.2361000    
 H    1.454000      -2.370800       2.135000    
 H    1.557100     -0.6430000       1.924400    
 H    4.071900      -2.056100     -0.5116000    
 H    3.738800      -2.611400       1.140500    
 H    3.215500     -0.7834000      -2.426300    
 H    1.554800     -0.7249000      -3.071600    
 H    2.219700      -2.245900      -2.484900    
 H    2.790500       1.434100      -1.795300    
 H   -1.214400       2.087600       1.048400    
 H    2.015500       3.679300      -1.281100    
 H   -2.549500      0.4700000       2.281400    
 H    5.526700      -1.223000       1.952800    
 H    5.461900      0.5133000       1.578100    
 H    5.838800     -0.6434000      0.2825000    
 H   -4.629000      -1.444900      -1.798300    
 H   -4.998600      0.5295000       1.991400    
 H   -6.037900     -0.4314000     -4.5699999E-02


%chk=000071272-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071272

0 1
Br -0.684246 4.847470 -0.615946
Cl -2.134525 -0.162400 -2.381413
O 4.047990 -0.684180 0.992932
N 1.815147 -0.845986 -0.935769
N -0.219688 -1.412410 1.239837
C 2.026707 -1.794258 0.194124
C 1.243132 -1.362393 1.450807
C 1.260266 0.442177 -0.779219
C 3.522384 -1.973554 0.547482
C 0.008940 0.670248 -0.099184
C -0.758253 -0.443549 0.532272
C 2.622133 -1.119216 -2.134409
C 1.874460 1.556059 -1.426900
C -0.543983 1.977138 -0.060442
C -2.257821 -0.450731 0.433240
C 1.313394 2.845370 -1.391050
C 0.105926 3.047581 -0.691882
C -2.990409 -0.299178 -0.770104
C -3.008574 -0.649743 1.625101
C 5.453957 -0.759012 1.383823
C -4.398943 -0.311581 -0.801882
C -4.417609 -0.664192 1.618537
C -5.116638 -0.485743 0.402267
H 1.656111 -2.794900 -0.119415
H 1.489765 -2.071457 2.260309
H 1.595533 -0.354466 1.752817
H 4.100289 -2.341067 -0.328592
H 3.608243 -2.736151 1.355390
H 3.677119 -0.776667 -2.055075
H 2.162666 -0.631506 -3.010464
H 2.629333 -2.209369 -2.320936
H 2.828753 1.416947 -1.942411
H -1.499357 2.134194 0.449103
H 1.819229 3.679954 -1.885659
H -2.447599 -0.798940 2.552906
H 5.601875 -1.454031 2.237760
H 5.745484 0.258825 1.686193
H 6.095339 -1.091063 0.539069
H -4.922348 -0.198325 -1.755662
H -4.967228 -0.812213 2.553906
H -6.211657 -0.490582 0.382139


