%chk=000130417.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130417

0 1
 Br  -1.565200       1.258500       2.629200    
 O   0.6500000      -1.170700     -0.9774000    
 O    2.805800       1.096400     -0.7837000    
 O    3.314500     -0.1528000       1.134600    
 O   -2.231700      -1.242000     -0.5799000    
 O    1.046000      -3.828500     -0.1635000    
 O  -0.9408000       2.470000      -2.004800    
 O   -4.408300       1.773000      0.9132000    
 N  -0.7950000      0.6137000     -0.6090000    
 N   -2.706500       1.993800     -0.6246000    
 C    1.584700      0.8291000     -8.9800000E-02
 C    1.937900     -0.3133000      0.8169000    
 C   0.5353000      0.2598000      -1.020900    
 C    1.691300      -1.534000     -5.8699999E-02
 C    3.835400      0.7638000      0.1594000    
 C    1.260200      -2.754500      0.7356000    
 C   -1.509200     -0.3292000      0.2446000    
 C    4.293100       2.030000      0.8793000    
 C    4.995900      0.1146000     -0.5819000    
 C   -1.435300       1.732500      -1.149100    
 C   -2.492900      0.3539000       1.173400    
 C   -3.311800       1.414800      0.4846000    
 C   -2.897100      -2.225100      0.1980000    
 C   -3.656500      -3.153700     -0.7255000    
 H    1.283300       1.742600      0.4333000    
 H    1.336400     -0.3280000       1.730700    
 H   0.7019000      0.5830000      -2.054300    
 H    2.569100      -1.793800     -0.6615000    
 H   0.3317000      -2.593100       1.286700    
 H    2.041700      -3.045500       1.444900    
 H  -0.8009000     -0.8784000      0.8628000    
 H    5.079000       1.808600       1.609000    
 H    4.660600       2.778600      0.1698000    
 H    3.463800       2.486700       1.431200    
 H    5.789200     -0.1894000      0.1089000    
 H    4.664100     -0.7864000      -1.108800    
 H    5.413700      0.7904000      -1.335600    
 H   -3.167800     -0.2900000       1.731500    
 H   -3.218700       2.754600      -1.062600    
 H   0.7818000      -4.599000      0.3676000    
 H   -2.173200      -2.796300      0.7889000    
 H   -3.664800      -1.816300      0.8533000    
 H   -4.180400      -3.929300     -0.1596000    
 H   -4.387100      -2.595600      -1.320600    
 H   -2.972800      -3.635700      -1.432300    


%chk=000130417-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130417

0 1
Br -2.401381 -0.102779 3.384941
O 0.713332 -1.449718 -0.105179
O 2.522680 0.998913 -1.084414
O 3.740514 -0.510360 0.225063
O -2.452298 -1.086784 -0.770089
O -0.006534 -2.771635 2.323328
O -0.593951 2.553959 -0.471078
O -4.775416 1.402660 1.211238
N -0.857151 0.348063 0.297323
N -2.648722 1.931311 0.418217
C 1.673266 0.743379 0.091724
C 2.501540 -0.255721 0.976125
C 0.434838 -0.053965 -0.388592
C 1.656197 -1.540609 1.048437
C 3.911469 0.622910 -0.724971
C 0.938856 -1.651180 2.400620
C -1.828848 -0.727151 0.522961
C 4.628113 1.798117 -0.039845
C 4.603139 0.096811 -1.975075
C -1.304328 1.647643 0.046529
C -2.985149 -0.270361 1.418852
C -3.577346 1.076876 1.017288
C -2.457581 -2.551633 -1.042003
C -2.993895 -2.736658 -2.458945
H 1.411995 1.687110 0.594043
H 2.737690 0.159583 1.974789
H 0.312952 0.050516 -1.479637
H 2.261400 -2.439690 0.853626
H 0.408413 -0.706422 2.643230
H 1.711048 -1.836353 3.177853
H -1.305379 -1.599188 0.952713
H 5.644107 1.495959 0.266741
H 4.701044 2.650296 -0.736590
H 4.075397 2.131406 0.856377
H 5.620776 -0.250312 -1.729276
H 4.024454 -0.743742 -2.389224
H 4.672154 0.894997 -2.733031
H -3.776844 -1.030301 1.455790
H -2.966465 2.873134 0.166767
H -0.510078 -2.826531 3.174834
H -1.423080 -2.931519 -0.934637
H -3.107070 -3.063145 -0.300656
H -3.021588 -3.811400 -2.715561
H -4.015257 -2.328591 -2.549333
H -2.346610 -2.220096 -3.187974


