%chk=000042815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042815

0 1
 Br  -3.691500       3.721600     -0.7071000    
 F    6.077600      0.4353000      0.2030000    
 F    4.814800       2.046200     -0.5141000    
 F    4.760600       1.477600       1.584100    
 O   -3.480400      -2.182500      0.5688000    
 O   -1.120900      -2.092000     -0.5915000    
 N   4.5299999E-02 -0.1288000     -5.2099999E-02
 C   -2.373300     -0.1848000     -0.1384000    
 C    1.399800     -0.5347000     -0.1355000    
 C   -3.525500     -0.8498000      0.2804000    
 C   -4.727200     -0.1527000      0.4044000    
 C   -1.107500     -0.8929000     -0.2743000    
 C    3.733200     -1.3200000E-02  4.2800002E-02
 C    2.399400      0.3867000      0.1254000    
 C   -2.422700       1.177700     -0.4332000    
 C   -4.776700       1.209700      0.1095000    
 C    1.693300      -1.843800     -0.4763000    
 C   -3.624500       1.875000     -0.3092000    
 C    4.046900      -1.328600     -0.2993000    
 C    3.027100      -2.244000     -0.5588000    
 C   -5.971600     -0.8473000      0.8506000    
 C    4.824000      0.9651000      0.3207000    
 H    2.156300       1.412300      0.3918000    
 H  -6.9700003E-02  0.8365000      0.2455000    
 H   -1.551300       1.714400     -0.7991000    
 H   -5.713600       1.753900      0.2061000    
 H   0.9637000      -2.609900     -0.6913000    
 H    5.079600      -1.659100     -0.3686000    
 H    3.272700      -3.268000     -0.8250000    
 H   -6.824100     -0.1605000      0.8957000    
 H   -6.240300      -1.645900      0.1511000    
 H   -5.842600      -1.264000       1.855000    
 H   -4.347800      -2.514700      0.8462000    


%chk=000042815-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042815

0 1
Br -3.933832 3.605917 -1.495985
F 6.072654 0.434808 0.631757
F 4.690032 2.155447 0.106118
F 4.528019 1.159249 2.129090
O -3.300127 -2.013023 0.957832
O -1.092885 -2.089121 -1.058756
N 0.026809 -0.252746 -0.101805
C -2.395654 -0.172177 -0.292479
C 1.387934 -0.639072 -0.226408
C -3.501075 -0.757020 0.379330
C -4.741063 -0.065454 0.497882
C -1.118541 -0.948975 -0.517584
C 3.736466 -0.083974 0.191405
C 2.367924 0.245872 0.288928
C -2.527050 1.128786 -0.840957
C -4.852199 1.226290 -0.066233
C 1.795238 -1.858311 -0.838490
C -3.750799 1.811508 -0.721493
C 4.152021 -1.289287 -0.416886
C 3.168131 -2.164147 -0.925696
C -5.907421 -0.708083 1.225803
C 4.740478 0.883520 0.747382
H 2.067444 1.187042 0.765172
H -0.146826 0.629386 0.387296
H -1.692575 1.577778 -1.388473
H -5.798471 1.770036 0.012386
H 1.036350 -2.539945 -1.225627
H 5.215083 -1.533778 -0.486456
H 3.473848 -3.103380 -1.397621
H -6.790453 -0.049499 1.209581
H -6.213709 -1.664973 0.756620
H -5.672432 -0.909442 2.290135
H -4.140217 -2.378429 1.331529


