%chk=000158444.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158444

0 1
 Br   5.998000      0.2772000       2.135900    
 F   -1.234400      -3.468900      2.9000000E-03
 F  -0.1061000      -2.680500      -1.673200    
 F   0.6888000      -2.513100      0.3439000    
 O   -1.131500       3.617700     -0.5550000    
 O   0.6621000       2.513800      -1.188800    
 O   -4.955600     -0.8788000       1.297600    
 O   -4.959900       1.315000       1.140100    
 N   0.8293000      5.6400001E-02  -1.077200    
 N  -0.5021000       2.548800     -0.7280000    
 N   -4.397800      0.2032000      0.9961000    
 C  -0.4860000      9.9299997E-02 -0.5561000    
 C   -1.131800      -1.088400     -0.2123000    
 C   -1.136400       1.321400     -0.3859000    
 C    2.034500      0.1080000     -0.3274000    
 C   -2.427900      -1.053900      0.3020000    
 C   -2.432600       1.355900      0.1283000    
 C   -3.078300      0.1683000      0.4723000    
 C   0.9962000     -0.3264000      -2.486300    
 C  -0.4607000      -2.412900     -0.3829000    
 C    1.978700      0.2108000       1.057400    
 C    3.257100      5.4499999E-02 -0.9867000    
 C    3.162400      0.2608000       1.793700    
 C    4.440600      0.1043000     -0.2503000    
 C    4.393300      0.2075000       1.139900    
 H   -2.919400      -1.986900      0.5661000    
 H   -2.943700       2.306200      0.2630000    
 H    1.542500      -1.269700      -2.601600    
 H    1.496300      0.4669000      -3.054500    
 H   2.2399999E-02 -0.4637000      -2.974100    
 H    1.039600      0.2545000       1.600700    
 H    3.365900     -1.2100000E-02  -2.063500    
 H    3.108400      0.3414000       2.876400    
 H    5.392100      6.4900003E-02 -0.7746000    


%chk=000158444-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158444

0 1
Br 5.857269 1.540329 2.174317
F -1.878695 -3.615032 -0.134470
F -1.209339 -3.014050 -2.205393
F 0.287479 -3.098921 -0.497563
O -0.046852 3.223336 0.534805
O 0.709158 2.365863 -1.440828
O -5.164789 -0.514341 1.044557
O -4.617164 1.666670 1.469977
N 0.926265 -0.420798 -1.052961
N 0.019119 2.292819 -0.354195
N -4.342458 0.482443 1.033724
C -0.380943 -0.215372 -0.579559
C -1.353242 -1.276754 -0.478617
C -0.816236 1.080140 -0.131790
C 2.051843 0.072911 -0.325232
C -2.643686 -1.033849 0.026915
C -2.080438 1.320518 0.420544
C -2.991743 0.251643 0.482962
C 1.142778 -0.940068 -2.422593
C -1.032326 -2.715938 -0.816388
C 2.000908 0.143457 1.095456
C 3.253745 0.433974 -0.989274
C 3.115212 0.585043 1.832825
C 4.377148 0.861882 -0.252459
C 4.299488 0.941806 1.152216
H -3.374374 -1.841291 0.121932
H -2.366266 2.320748 0.757118
H 1.933493 -1.708293 -2.425123
H 1.424673 -0.106997 -3.094343
H 0.217085 -1.382314 -2.813383
H 1.103077 -0.176840 1.633572
H 3.321957 0.405648 -2.079182
H 3.065497 0.630584 2.924247
H 5.296358 1.142543 -0.773913


