%chk=000125008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125008

0 1
 Br   6.681600     -0.7255000      2.7500000E-02
 S   -2.920400     -0.9092000     -1.1200000E-02
 F   -4.205800       1.035000      -1.129700    
 F   -4.003100       1.198400       1.036200    
 F   -5.413000     -0.2288000      0.1763000    
 O   -1.649300      0.1195000     -6.8999999E-03
 O   -2.959400      -1.628400       1.245800    
 O   -2.984300      -1.587600      -1.289600    
 O   0.3386000       1.890100     -2.4700001E-02
 C  -0.3383000     -0.4139000     -2.8300000E-02
 C    2.130400      0.3625000     -1.0200000E-02
 C   0.7159000      0.7010000     -2.0500001E-02
 C   -4.184200      0.3199000      2.0900000E-02
 C    2.527700     -0.9745000     -7.6000001E-03
 C    3.089600       1.375300     -2.0000001E-03
 C    3.884400      -1.298800      3.5000001E-03
 C    4.446100       1.051000      8.8999998E-03
 C    4.843600     -0.2860000      1.1700000E-02
 H  -0.2019000      -1.034900      0.8628000    
 H  -0.2157000      -1.007700     -0.9397000    
 H    1.816800      -1.794600     -1.4900000E-02
 H    2.805200       2.424200     -3.7000000E-03
 H    4.177900      -2.345500      5.5000000E-03
 H    5.181000       1.852000      1.5300000E-02


%chk=000125008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125008

0 1
Br 6.518320 0.270779 -0.614192
S -2.861020 -0.821296 -0.276926
F -2.794063 1.919978 -1.143667
F -2.879160 1.723305 1.129281
F -4.716590 1.296175 -0.118241
O -1.712598 -1.156362 1.186606
O -4.219607 -1.593088 0.088926
O -2.070166 -1.102298 -1.655744
O -0.417544 0.920277 -0.034719
C -0.318774 -1.346363 0.803692
C 1.802893 -0.021215 0.059786
C 0.326303 -0.058581 0.253441
C -3.328266 1.233429 -0.075502
C 2.643062 -1.126561 0.365596
C 2.385411 1.169611 -0.455101
C 4.036573 -1.046138 0.167118
C 3.774384 1.264139 -0.656525
C 4.587049 0.151035 -0.340675
H 0.155254 -1.647876 1.757195
H -0.205043 -2.170410 0.070291
H 2.228095 -2.061395 0.757164
H 1.727277 2.011801 -0.691920
H 4.682317 -1.896869 0.400905
H 4.219290 2.181426 -1.051388


