%chk=000130791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130791

0 1
 Br  -9.246300      -2.105000     -0.7194000    
 S   -3.464000       1.114600     -0.3665000    
 P    5.239900      0.9402000      -1.297700    
 P    6.285800      -1.688200     -0.4909000    
 O    1.007400       1.501000     -0.5100000    
 O  -0.5730000       3.822700       1.040900    
 O    1.738800       3.430200       2.431600    
 O    3.786800       1.589100      -1.003300    
 O    5.155800     -0.5467000     -0.6689000    
 O    6.239100       1.713800     -0.2876000    
 O    5.664900      0.9764000      -2.737100    
 O   -6.208600       2.049400      -1.001700    
 O    5.448900      -2.960900      4.9699999E-02
 O    6.643800      -2.090600      -2.014700    
 O    7.456200      -1.283700      0.3559000    
 O   -8.478200      0.7623000      -1.113600    
 N  -0.9235000      0.3282000      0.2186000    
 N   -2.445800      -1.303600      0.3296000    
 N    1.067900     -0.9271000      0.8210000    
 N   0.5468000      -3.272100       1.252200    
 N   -1.674000      -4.147100       1.081200    
 C  -0.2170000       2.468400       1.313300    
 C    1.253400       2.347400       1.667000    
 C  -0.3250000       1.650100      2.5500000E-02
 C    1.909200       2.273500      0.2991000    
 C    3.276400       1.613700      0.3183000    
 C  -0.2459000     -0.8052000      0.5791000    
 C   -2.242900     -2.6400000E-02  8.1900001E-02
 C   -1.206000      -1.802600      0.6417000    
 C  -0.7685000      -3.075600      0.9934000    
 C    1.371100      -2.201400       1.151400    
 C   -4.944100      6.3100003E-02 -0.3749000    
 C   -6.174100      0.8525000     -0.7474000    
 C   -7.490600      0.1056000     -0.8123000    
 C   -7.464600      -1.366000     -0.5054000    
 H  -0.8661000       2.122000       2.124000    
 H    1.414800       1.419900       2.228500    
 H  -0.9018000       2.166100     -0.7482000    
 H    1.992300       3.267300     -0.1598000    
 H    3.215800      0.5857000      0.6842000    
 H    3.964000       2.174900      0.9582000    
 H   -1.510300       3.829500      0.7817000    
 H    2.689500       3.288500       2.575700    
 H    2.417200      -2.394700       1.363900    
 H   -4.798700     -0.7339000      -1.109300    
 H   -5.082900     -0.3571000      0.6251000    
 H   -2.656100      -4.003000      0.8892000    
 H   -1.331800      -5.062700       1.339300    
 H    6.561400       2.607600     -0.5315000    
 H   -6.825400      -1.903100      -1.208000    
 H   -7.173300      -1.544900      0.5308000    
 H    5.934300      -3.771700      0.3127000    
 H    7.379700      -2.717600      -2.180000    


%chk=000130791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130791

0 1
Br -7.870498 -2.548502 -4.039210
S -3.186198 0.869450 0.147105
P 3.293221 -0.140465 -1.764749
P 3.886857 -2.842505 -0.549764
O 0.205698 2.460354 0.101253
O -0.435984 4.245394 2.760934
O 2.001163 4.698427 1.963685
O 2.434897 1.269598 -1.303656
O 2.884405 -1.316951 -0.518713
O 4.910322 0.242658 -1.376625
O 2.953570 -0.685080 -3.213205
O -5.643774 0.857227 -1.469432
O 3.414416 -3.652292 0.770565
O 3.178878 -3.683356 -1.871224
O 5.390105 -2.328616 -0.795276
O -5.266544 -2.588805 -2.254545
N -0.754933 0.797299 1.548196
N -1.468371 -1.257513 0.766927
N 1.363731 0.074268 2.641592
N 1.857046 -2.230746 2.138137
N 0.510582 -3.637970 0.798066
C 0.243121 2.994140 2.472817
C 1.683605 3.263770 1.874526
C -0.529131 2.261013 1.345688
C 1.608783 2.867701 0.373647
C 2.638525 1.769454 0.074288
C 0.195140 -0.146309 1.955482
C -1.739409 0.060925 0.841518
C -0.251633 -1.389931 1.441734
C 0.671473 -2.469274 1.456654
C 2.148034 -1.011252 2.709014
C -3.832482 -0.645400 -0.775617
C -5.111765 -0.280830 -1.496285
C -5.766281 -1.441856 -2.301489
C -6.997557 -1.030054 -3.092373
H 0.294059 2.398684 3.398589
H 2.427437 2.657626 2.420240
H -1.522335 2.725096 1.233244
H 1.790201 3.746481 -0.266784
H 2.545867 0.932234 0.784245
H 3.653010 2.205647 0.157763
H 0.170227 4.977519 2.443934
H 2.567776 4.880095 2.753941
H 3.111179 -0.939026 3.217940
H -3.061128 -0.992728 -1.484740
H -3.994474 -1.471332 -0.062554
H -0.331743 -3.774878 0.239555
H 1.334593 -4.236341 0.640599
H 5.423990 -0.627575 -1.180361
H -7.747820 -0.572836 -2.426199
H -6.724076 -0.279655 -3.854120
H 2.675986 -2.898366 1.823937
H 3.190938 -3.161816 -2.722394


