%chk=000125612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125612

0 1
 Br  -1.569800      -5.800900      0.2011000    
 Cl  -5.150300       3.320500      0.2542000    
 Cl  -5.920000      0.6181000     -0.5436000    
 O  -0.2437000       2.176600       1.652400    
 O   -1.268600      -1.751800      0.2279000    
 O   -3.233800       1.741900      -1.598300    
 O  -0.9890000      -3.338700      -1.418400    
 O    6.162800     -0.3689000      0.1069000    
 O    5.850500       1.201600      -1.394900    
 N   -2.411000      0.9148000      0.4051000    
 N    5.423800      0.4606000     -0.4766000    
 C   -1.061600      0.6668000     -6.5800004E-02
 C  -6.2700003E-02  0.8712000       1.093600    
 C  -0.9960000     -0.7216000     -0.7133000    
 C    1.387500      0.7638000      0.6796000    
 C    2.228100     -0.1502000       1.314900    
 C    1.884300       1.577500     -0.3386000    
 C   -3.392400       1.438700     -0.4167000    
 C    3.565700     -0.2504000      0.9322000    
 C    3.221800       1.477400     -0.7214000    
 C    4.062500      0.5635000     -8.6000003E-02
 C   -4.713400       1.604700      0.2972000    
 C   -1.233200      -3.035000     -0.2595000    
 C   -1.541600      -3.980100      0.8680000    
 H  -0.8669000       1.411300     -0.8474000    
 H  -0.2776000      0.1577000       1.899000    
 H  -3.3000000E-03 -0.8849000      -1.149100    
 H   -1.733100     -0.7834000      -1.524100    
 H   -2.648600      0.6212000       1.348000    
 H    1.854300     -0.7915000       2.108600    
 H    1.249800       2.304100     -0.8382000    
 H   -1.176400       2.254500       1.915900    
 H    4.191100     -0.9740000       1.448800    
 H    3.574800       2.129000      -1.516700    
 H   -4.672400       1.285200       1.341500    
 H   -2.532000      -3.777600       1.280400    
 H  -0.7658000      -3.930300       1.634400    


%chk=000125612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125612

0 1
Br 0.297803 -3.510640 2.781313
Cl -5.880171 0.968205 -0.896273
Cl -5.020673 0.159375 1.943563
O -0.328492 2.835030 0.237472
O -1.144023 -1.655589 0.275533
O -3.049925 2.903251 -0.030988
O -0.302525 -3.469559 -0.924980
O 5.731244 -1.195888 0.441930
O 6.018450 0.497011 -1.059303
N -2.624101 0.606148 0.033300
N 5.297405 -0.182238 -0.230711
C -1.239455 0.650125 -0.495429
C -0.249562 1.403486 0.493151
C -0.867201 -0.777711 -0.904253
C 1.207641 0.996016 0.314556
C 1.734712 -0.109401 1.030140
C 2.045974 1.721666 -0.568944
C -3.419467 1.700833 0.182555
C 3.074743 -0.504917 0.857217
C 3.389081 1.340127 -0.754931
C 3.882776 0.226129 -0.041056
C -4.874050 1.462199 0.597784
C -0.797057 -3.005350 0.121286
C -1.126515 -3.793371 1.371501
H -1.237315 1.264978 -1.419272
H -0.571808 1.158183 1.527969
H 0.194085 -0.864332 -1.184266
H -1.491524 -1.130429 -1.744734
H -2.951217 -0.297939 0.392488
H 1.099196 -0.660608 1.732002
H 1.636551 2.601370 -1.072037
H -1.293506 3.104635 0.144525
H 3.500162 -1.353619 1.398934
H 4.056314 1.885293 -1.427676
H -5.317476 2.382849 0.991657
H -1.118597 -4.868417 1.153095
H -2.067677 -3.465502 1.833982


