%chk=000050956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050956

0 1
 Br   5.901900      -3.940100     -0.4318000    
 Cl  -1.586000      -2.901300      -1.764600    
 Cl  -4.130200      -1.648700       3.947300    
 O   0.2713000       3.294000      0.2236000    
 O    6.539600      -1.109400      0.1581000    
 N   -3.544900      -1.244300     -2.7200000E-02
 N   0.9667000       1.079300     -0.1494000    
 C   -3.130500      7.9700001E-02 -0.2912000    
 C   -4.096600      -2.063700      -1.086600    
 C   -3.435700      -1.792900       1.308900    
 C   -4.032300       1.025900     -0.7785000    
 C   -1.802900      0.4376000     -5.6699999E-02
 C   -1.377100       1.741800     -0.3093000    
 C   -3.606400       2.329800      -1.031000    
 C   -2.278900       2.687900     -0.7965000    
 C   -3.256800      -3.312600      -1.303700    
 C   -4.248600     -0.9770000       2.301700    
 C   -5.460100      0.6704000      -1.037800    
 C   3.7300002E-02   2.123800     -5.8300000E-02
 C    2.345400       1.135800      5.7200000E-02
 C    3.119400     -1.6700000E-02 -7.8299999E-02
 C    4.497600      4.0500000E-02  0.1287000    
 C    2.949700       2.345400      0.3997000    
 C    5.101800       1.250100      0.4713000    
 C    4.327900       2.402600      0.6068000    
 C    5.305300      -1.160400     -1.3100000E-02
 C    4.623000      -2.477300     -0.3894000    
 H   -4.147300      -1.524100      -2.039800    
 H   -5.121300      -2.357100     -0.8295000    
 H   -2.384400      -1.839100       1.617700    
 H   -3.807400      -2.823900       1.338900    
 H   -1.128100     -0.3088000      0.3517000    
 H   -4.296400       3.077200      -1.413900    
 H   -1.965700       3.707500      -1.004900    
 H   -3.679100      -3.909000      -2.118500    
 H   -3.205500      -3.952600     -0.4194000    
 H   -5.308300     -0.9660000       2.027500    
 H   -3.903700      5.9500001E-02   2.359900    
 H   -5.576700      0.2224000      -2.028800    
 H   -5.864900     -1.2000001E-03 -0.2749000    
 H   -6.092300       1.566000      -1.008700    
 H   0.6316000      0.1639000     -0.4358000    
 H    2.620100     -0.9429000     -0.3480000    
 H    2.420700       3.279600      0.5235000    
 H    6.173300       1.321900      0.6381000    
 H    4.799600       3.344100      0.8736000    
 H    4.193700      -2.417700      -1.391900    
 H    3.879300      -2.757900      0.3597000    


%chk=000050956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050956

0 1
Br 5.671649 -4.156842 -0.390423
Cl -1.648087 -2.419217 -2.240514
Cl -3.001026 -1.839410 4.058408
O 0.256855 3.413433 0.069540
O 6.483043 -1.249188 0.349206
N -3.770226 -1.206704 0.039752
N 0.886032 1.157776 -0.151783
C -3.292724 0.098456 -0.335052
C -4.209473 -2.135199 -1.018515
C -3.273566 -1.834978 1.280239
C -4.180498 1.041150 -0.947999
C -1.956063 0.483029 -0.054868
C -1.470592 1.768365 -0.390862
C -3.675818 2.327214 -1.270115
C -2.347346 2.701033 -0.996939
C -3.184953 -3.197585 -1.455736
C -3.662576 -0.994257 2.505236
C -5.641907 0.721302 -1.197109
C -0.052774 2.199034 -0.128479
C 2.280294 1.217250 0.114618
C 3.020024 0.012298 -0.010420
C 4.413949 -0.012703 0.244489
C 2.947810 2.413474 0.498101
C 5.073738 1.186086 0.630375
C 4.336476 2.378495 0.752510
C 5.244774 -1.263326 0.128625
C 4.494702 -2.545877 -0.268688
H -4.514642 -1.551125 -1.900713
H -5.104403 -2.701064 -0.674248
H -2.176159 -2.015111 1.285976
H -3.754434 -2.826077 1.375153
H -1.301243 -0.237757 0.448063
H -4.356381 3.056531 -1.725234
H -1.974571 3.703133 -1.228801
H -3.608948 -3.853002 -2.233188
H -2.804483 -3.802848 -0.619086
H -4.752865 -0.929727 2.628733
H -3.212178 0.008120 2.497133
H -5.809760 0.265254 -2.192943
H -6.021424 0.011984 -0.440364
H -6.252109 1.639863 -1.159134
H 0.532801 0.247540 -0.457334
H 2.491690 -0.901985 -0.309070
H 2.375744 3.339071 0.581584
H 6.150036 1.149141 0.823487
H 4.843348 3.303206 1.048020
H 4.026426 -2.435034 -1.260984
H 3.718937 -2.791218 0.475751


